N-[[4-[(4-methoxyphenoxy)methyl]phenyl]methyl]propan-2-amine

C18H23NO2 — CID 62459407

IUPACN-[[4-[(4-methoxyphenoxy)methyl]phenyl]methyl]propan-2-amine
SMILESCOc1ccc(OCc2ccc(CNC(C)C)cc2)cc1
InChIInChI=1S/C18H23NO2/c1-14(2)19-12-15-4-6-16(7-5-15)13-21-18-10-8-17(20-3)9-11-18/h4-11,14,19H,12-13H2,1-3H3
InChIKeyOZQSDMRJSPTVBO-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.77
Rot. Bonds7

About N-[[4-[(4-methoxyphenoxy)methyl]phenyl]methyl]propan-2-amine

N-[[4-[(4-methoxyphenoxy)methyl]phenyl]methyl]propan-2-amine (PubChem CID 62459407) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[[4-[(4-methoxyphenoxy)methyl]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-[(4-methoxyphenoxy)methyl]phenyl]methyl]propan-2-amine
PubChem CID62459407
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-[[4-[(4-methoxyphenoxy)methyl]phenyl]methyl]propan-2-amine
SMILESCOc1ccc(OCc2ccc(CNC(C)C)cc2)cc1
InChIInChI=1S/C18H23NO2/c1-14(2)19-12-15-4-6-16(7-5-15)13-21-18-10-8-17(20-3)9-11-18/h4-11,14,19H,12-13H2,1-3H3
InChIKeyOZQSDMRJSPTVBO-UHFFFAOYSA-N
XLogP3.77
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-[(4-methoxyphenoxy)methyl]phenyl]methyl]propan-2-amine 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

N-[[4-[(4-bromophenoxy)methyl]phenyl]methyl]propan-2-amine
CID 63497866
N-[[5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine
CID 79782732
N-[[6-[(4-methoxyphenyl)methoxy]pyridazin-3-yl]methyl]propan-2-amine
CID 62291863
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
N-[[4-[(3-bromophenoxy)methyl]phenyl]methyl]propan-2-amine
CID 63498401
N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 60880650
N-[[5-[(4-methoxyphenoxy)methyl]-2-methylfuran-3-yl]methyl]propan-2-amine
CID 62458167
3-[[4-[(propan-2-ylamino)methyl]phenoxy]methyl]benzonitrile
CID 60878569
N-[(4-pentoxyphenyl)methyl]propan-2-amine
CID 29288376
(1S)-1-phenyl-N-[(4-phenylmethoxyphenyl)methyl]ethanamine
CID 7145250
N-[(4-but-2-ynoxyphenyl)methyl]propan-2-amine
CID 62312497
N-[[4-[(4-bromophenyl)methoxy]phenyl]methyl]-4-methoxyaniline
CID 126121541

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-methoxyphenoxy)methyl]phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-[(4-methoxyphenoxy)methyl]phenyl]methyl]propan-2-amine (CID 62459407) is N-[[4-[(4-methoxyphenoxy)methyl]phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-[(4-methoxyphenoxy)methyl]phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-[(4-methoxyphenoxy)methyl]phenyl]methyl]propan-2-amine is COc1ccc(OCc2ccc(CNC(C)C)cc2)cc1.
What is the InChIKey of N-[[4-[(4-methoxyphenoxy)methyl]phenyl]methyl]propan-2-amine?
The InChIKey is OZQSDMRJSPTVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-14(2)19-12-15-4-6-16(7-5-15)13-21-18-10-8-17(20-3)9-11-18/h4-11,14,19H,12-13H2,1-3H3.
What are the key properties of N-[[4-[(4-methoxyphenoxy)methyl]phenyl]methyl]propan-2-amine?
N-[[4-[(4-methoxyphenoxy)methyl]phenyl]methyl]propan-2-amine has a molecular weight of 285.39 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-methoxyphenoxy)methyl]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 62459407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).