3-methyl-4-(oxan-2-yloxymethyl)-N,N-bis[4-(oxan-2-yloxymethyl)phenyl]aniline

C37H47NO6 — CID 71233408

IUPAC3-methyl-4-(oxan-2-yloxymethyl)-N,N-bis[4-(oxan-2-yloxymethyl)phenyl]aniline
SMILESCc1cc(N(c2ccc(COC3CCCCO3)cc2)c2ccc(COC3CCCCO3)cc2)ccc1COC1CCCCO1
InChIInChI=1S/C37H47NO6/c1-28-24-34(20-15-31(28)27-44-37-10-4-7-23-41-37)38(32-16-11-29(12-17-32)25-42-35-8-2-5-21-39-35)33-18-13-30(14-19-33)26-43-36-9-3-6-22-40-36/h11-20,24,35-37H,2-10,21-23,25-27H2,1H3
InChIKeyBTMPDKGLGLDYOO-UHFFFAOYSA-N
MW601.78 g/mol
LogP8.59
Rot. Bonds12

About 3-methyl-4-(oxan-2-yloxymethyl)-N,N-bis[4-(oxan-2-yloxymethyl)phenyl]aniline

3-methyl-4-(oxan-2-yloxymethyl)-N,N-bis[4-(oxan-2-yloxymethyl)phenyl]aniline (PubChem CID 71233408) has the molecular formula C37H47NO6 and a molecular weight of 601.78 g/mol. Its IUPAC name is 3-methyl-4-(oxan-2-yloxymethyl)-N,N-bis[4-(oxan-2-yloxymethyl)phenyl]aniline.

Molecular Properties

Compound Name3-methyl-4-(oxan-2-yloxymethyl)-N,N-bis[4-(oxan-2-yloxymethyl)phenyl]aniline
PubChem CID71233408
Molecular FormulaC37H47NO6
Molecular Weight601.78 g/mol
Exact Mass601.34
IUPAC Name3-methyl-4-(oxan-2-yloxymethyl)-N,N-bis[4-(oxan-2-yloxymethyl)phenyl]aniline
SMILESCc1cc(N(c2ccc(COC3CCCCO3)cc2)c2ccc(COC3CCCCO3)cc2)ccc1COC1CCCCO1
InChIInChI=1S/C37H47NO6/c1-28-24-34(20-15-31(28)27-44-37-10-4-7-23-41-37)38(32-16-11-29(12-17-32)25-42-35-8-2-5-21-39-35)33-18-13-30(14-19-33)26-43-36-9-3-6-22-40-36/h11-20,24,35-37H,2-10,21-23,25-27H2,1H3
InChIKeyBTMPDKGLGLDYOO-UHFFFAOYSA-N
XLogP8.59
TPSA58.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.78
LogP ≤ 58.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-methyl-4-(oxan-2-yloxymethyl)-N,N-bis[4-(oxan-2-yloxymethyl)phenyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-N-[4-[2-[4-[2-[4-[N-[3-methyl-4-(oxan-2-yloxymethyl)phenyl]-4-(oxan-2-yloxymethyl)anilino]phenyl]propan-2-yl]phenyl]propan-2-yl]phenyl]-4-(oxan-2-yloxymethyl)-N-[4-(oxan-2-yloxymethyl)phenyl]aniline
CID 88530792
4-(oxan-2-yloxymethyl)-N-[4-[4-[4-(oxan-2-yloxymethyl)-N-[4-[4-(oxan-2-yloxymethyl)phenyl]phenyl]anilino]phenyl]phenyl]-N-[4-[4-(oxan-2-yloxymethyl)phenyl]phenyl]aniline
CID 89394119
4-(oxan-2-yloxymethyl)-N-[4-[1-[4-[4-(oxan-2-yloxymethyl)-N-[4-(oxan-2-yloxymethyl)phenyl]anilino]phenyl]ethyl]phenyl]-N-[4-(oxan-2-yloxymethyl)phenyl]aniline
CID 90246761
3-(oxan-2-yloxymethyl)-N-[4-[[4-[3-(oxan-2-yloxymethyl)-N-[3-(oxan-2-yloxymethyl)phenyl]anilino]phenyl]methyl]phenyl]-N-[3-(oxan-2-yloxymethyl)phenyl]aniline
CID 90246762
1-N,1-N,4-N,4-N-tetrakis[4-(oxan-2-yloxymethyl)phenyl]anthracene-1,4-diamine
CID 90246764
2-[(4-methylphenyl)methoxy]oxolane
CID 11745476
2-[(4-methoxy-3-methylphenyl)methoxy]oxane
CID 66596594
(2S)-2-[(4-bromophenyl)methoxy]oxane
CID 68903974
2-[4-(oxan-2-yloxymethyl)phenoxy]oxane
CID 101362561
sodium;4-[2-(4-aminophenyl)ethyl]aniline;2-[(4-bromophenyl)methoxy]oxane;methane;2-methylpropan-2-olate;4-[2-[4-[4-(oxan-2-yloxymethyl)-N-[4-(oxan-2-yloxymethyl)phenyl]anilino]phenyl]ethyl]-N,N-bis[4-(oxan-2-yloxymethyl)phenyl]aniline
CID 162090938
2-[(4-bromo-2-ethylphenyl)methoxy]oxane
CID 86762394
N-[4-[4-methyl-2-[4-[4-(oxan-2-yloxymethyl)-N-[4-(oxan-2-yloxymethyl)phenyl]anilino]phenyl]pentan-2-yl]phenyl]-4-(oxan-2-yloxymethyl)-N-[4-(oxan-2-yloxymethyl)phenyl]aniline;4-(oxan-2-yloxymethyl)-N-[4-[2-[4-[4-(oxan-2-yloxymethyl)-N-[4-(oxan-2-yloxymethyl)phenyl]anilino]phenyl]pentan-2-yl]phenyl]-N-[4-(oxan-2-yloxymethyl)phenyl]aniline;4-(oxan-2-yloxymethyl)-N-[4-[3-[4-[4-(oxan-2-yloxymethyl)-N-[4-(oxan-2-yloxymethyl)phenyl]anilino]phenyl]pentan-3-yl]phenyl]-N-[4-(oxan-2-yloxymethyl)phenyl]aniline
CID 162135478

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(oxan-2-yloxymethyl)-N,N-bis[4-(oxan-2-yloxymethyl)phenyl]aniline?
The IUPAC name of 3-methyl-4-(oxan-2-yloxymethyl)-N,N-bis[4-(oxan-2-yloxymethyl)phenyl]aniline (CID 71233408) is 3-methyl-4-(oxan-2-yloxymethyl)-N,N-bis[4-(oxan-2-yloxymethyl)phenyl]aniline.
What is the SMILES notation for 3-methyl-4-(oxan-2-yloxymethyl)-N,N-bis[4-(oxan-2-yloxymethyl)phenyl]aniline?
The canonical SMILES for 3-methyl-4-(oxan-2-yloxymethyl)-N,N-bis[4-(oxan-2-yloxymethyl)phenyl]aniline is Cc1cc(N(c2ccc(COC3CCCCO3)cc2)c2ccc(COC3CCCCO3)cc2)ccc1COC1CCCCO1.
What is the InChIKey of 3-methyl-4-(oxan-2-yloxymethyl)-N,N-bis[4-(oxan-2-yloxymethyl)phenyl]aniline?
The InChIKey is BTMPDKGLGLDYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H47NO6/c1-28-24-34(20-15-31(28)27-44-37-10-4-7-23-41-37)38(32-16-11-29(12-17-32)25-42-35-8-2-5-21-39-35)33-18-13-30(14-19-33)26-43-36-9-3-6-22-40-36/h11-20,24,35-37H,2-10,21-23,25-27H2,1H3.
What are the key properties of 3-methyl-4-(oxan-2-yloxymethyl)-N,N-bis[4-(oxan-2-yloxymethyl)phenyl]aniline?
3-methyl-4-(oxan-2-yloxymethyl)-N,N-bis[4-(oxan-2-yloxymethyl)phenyl]aniline has a molecular weight of 601.78 g/mol, XLogP of 8.59, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(oxan-2-yloxymethyl)-N,N-bis[4-(oxan-2-yloxymethyl)phenyl]aniline is sourced from PubChem (CID 71233408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).