4-methoxy-1-N-[(4-methoxyphenyl)methyl]-1-N-methylbutane-1,2-diamine

C14H24N2O2 — CID 62475963

IUPAC4-methoxy-1-N-[(4-methoxyphenyl)methyl]-1-N-methylbutane-1,2-diamine
SMILESCOCCC(N)CN(C)Cc1ccc(OC)cc1
InChIInChI=1S/C14H24N2O2/c1-16(11-13(15)8-9-17-2)10-12-4-6-14(18-3)7-5-12/h4-7,13H,8-11,15H2,1-3H3
InChIKeyCYYMCKDHXCSBDY-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.49
Rot. Bonds8

About 4-methoxy-1-N-[(4-methoxyphenyl)methyl]-1-N-methylbutane-1,2-diamine

4-methoxy-1-N-[(4-methoxyphenyl)methyl]-1-N-methylbutane-1,2-diamine (PubChem CID 62475963) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-methoxy-1-N-[(4-methoxyphenyl)methyl]-1-N-methylbutane-1,2-diamine.

Molecular Properties

Compound Name4-methoxy-1-N-[(4-methoxyphenyl)methyl]-1-N-methylbutane-1,2-diamine
PubChem CID62475963
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name4-methoxy-1-N-[(4-methoxyphenyl)methyl]-1-N-methylbutane-1,2-diamine
SMILESCOCCC(N)CN(C)Cc1ccc(OC)cc1
InChIInChI=1S/C14H24N2O2/c1-16(11-13(15)8-9-17-2)10-12-4-6-14(18-3)7-5-12/h4-7,13H,8-11,15H2,1-3H3
InChIKeyCYYMCKDHXCSBDY-UHFFFAOYSA-N
XLogP1.49
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methoxy-1-N-[(4-methoxyphenyl)methyl]-1-N-methylbutane-1,2-diamine 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

4-methoxy-1-N-methyl-1-N-[(3-methylphenyl)methyl]butane-1,2-diamine
CID 55080874
1-N-[(4-chlorophenyl)methyl]-3-methoxy-1-N-methylpropane-1,2-diamine
CID 81102122
3-N-methyl-3-N-[(4-propan-2-yloxyphenyl)methyl]propane-1,2,3-triamine
CID 115119849
4-methoxy-1-N-methyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butane-1,2-diamine
CID 62476800
1-N-[(4-bromothiophen-2-yl)methyl]-4-methoxy-1-N-methylbutane-1,2-diamine
CID 62475450
4-methoxy-1-N-methyl-1-N-(2-pyridin-4-ylethyl)butane-1,2-diamine
CID 62476974
N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 122609914
3-bromo-N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 61417517
N-[(4-methoxyphenyl)methyl]-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62435384
N'-[(4-methoxyphenyl)methyl]-N'-methyl-N-(3-methylbutyl)ethane-1,2-diamine
CID 62553778
1,1-dideuterio-N,N-bis[(4-methoxyphenyl)methyl]methanamine
CID 166042056
2-methoxy-N-[[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]methyl]-N-methylethanamine
CID 171480765

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-N-[(4-methoxyphenyl)methyl]-1-N-methylbutane-1,2-diamine?
The IUPAC name of 4-methoxy-1-N-[(4-methoxyphenyl)methyl]-1-N-methylbutane-1,2-diamine (CID 62475963) is 4-methoxy-1-N-[(4-methoxyphenyl)methyl]-1-N-methylbutane-1,2-diamine.
What is the SMILES notation for 4-methoxy-1-N-[(4-methoxyphenyl)methyl]-1-N-methylbutane-1,2-diamine?
The canonical SMILES for 4-methoxy-1-N-[(4-methoxyphenyl)methyl]-1-N-methylbutane-1,2-diamine is COCCC(N)CN(C)Cc1ccc(OC)cc1.
What is the InChIKey of 4-methoxy-1-N-[(4-methoxyphenyl)methyl]-1-N-methylbutane-1,2-diamine?
The InChIKey is CYYMCKDHXCSBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-16(11-13(15)8-9-17-2)10-12-4-6-14(18-3)7-5-12/h4-7,13H,8-11,15H2,1-3H3.
What are the key properties of 4-methoxy-1-N-[(4-methoxyphenyl)methyl]-1-N-methylbutane-1,2-diamine?
4-methoxy-1-N-[(4-methoxyphenyl)methyl]-1-N-methylbutane-1,2-diamine has a molecular weight of 252.36 g/mol, XLogP of 1.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-N-[(4-methoxyphenyl)methyl]-1-N-methylbutane-1,2-diamine is sourced from PubChem (CID 62475963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).