4-methoxy-1-N-methyl-1-N-[(3-methylphenyl)methyl]butane-1,2-diamine

C14H24N2O — CID 55080874

IUPAC4-methoxy-1-N-methyl-1-N-[(3-methylphenyl)methyl]butane-1,2-diamine
SMILESCOCCC(N)CN(C)Cc1cccc(C)c1
InChIInChI=1S/C14H24N2O/c1-12-5-4-6-13(9-12)10-16(2)11-14(15)7-8-17-3/h4-6,9,14H,7-8,10-11,15H2,1-3H3
InChIKeyLFIRHTCWUDDREV-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.79
Rot. Bonds7

About 4-methoxy-1-N-methyl-1-N-[(3-methylphenyl)methyl]butane-1,2-diamine

4-methoxy-1-N-methyl-1-N-[(3-methylphenyl)methyl]butane-1,2-diamine (PubChem CID 55080874) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 4-methoxy-1-N-methyl-1-N-[(3-methylphenyl)methyl]butane-1,2-diamine.

Molecular Properties

Compound Name4-methoxy-1-N-methyl-1-N-[(3-methylphenyl)methyl]butane-1,2-diamine
PubChem CID55080874
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name4-methoxy-1-N-methyl-1-N-[(3-methylphenyl)methyl]butane-1,2-diamine
SMILESCOCCC(N)CN(C)Cc1cccc(C)c1
InChIInChI=1S/C14H24N2O/c1-12-5-4-6-13(9-12)10-16(2)11-14(15)7-8-17-3/h4-6,9,14H,7-8,10-11,15H2,1-3H3
InChIKeyLFIRHTCWUDDREV-UHFFFAOYSA-N
XLogP1.79
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methoxy-1-N-methyl-1-N-[(3-methylphenyl)methyl]butane-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

1-methoxy-3-[methyl-[(3-methylphenyl)methyl]amino]propan-2-ol
CID 62015545
2-bromo-3-methoxy-N-methyl-N-[(3-methylphenyl)methyl]propan-1-amine
CID 80691818
4-methoxy-1-N-[(4-methoxyphenyl)methyl]-1-N-methylbutane-1,2-diamine
CID 62475963
1-N-[(3-bromophenyl)methyl]-3-methoxy-1-N-methylpropane-1,2-diamine
CID 81102377
1-N,2-dimethyl-1-N-[(3-methylphenyl)methyl]heptane-1,6-diamine
CID 65296439
3-[methyl-[(3-methylphenyl)methyl]amino]propane-1,2-diol
CID 82850825
1-N-[(4-bromothiophen-2-yl)methyl]-4-methoxy-1-N-methylbutane-1,2-diamine
CID 62475450
1-N-[(3-fluorophenyl)methyl]-1-N-methylhexane-1,2-diamine
CID 60852438
3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline
CID 43383732
2-(bromomethyl)-N,3-dimethyl-N-[(3-methylphenyl)methyl]butan-1-amine
CID 65011843
1-N-[(3-bromophenyl)methyl]-1-N-methyl-4-phenylbutane-1,2-diamine
CID 114929581
4-methoxy-2-N,3-dimethyl-2-N-[(3-methylphenyl)methyl]butane-1,2-diamine
CID 116501648

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-N-methyl-1-N-[(3-methylphenyl)methyl]butane-1,2-diamine?
The IUPAC name of 4-methoxy-1-N-methyl-1-N-[(3-methylphenyl)methyl]butane-1,2-diamine (CID 55080874) is 4-methoxy-1-N-methyl-1-N-[(3-methylphenyl)methyl]butane-1,2-diamine.
What is the SMILES notation for 4-methoxy-1-N-methyl-1-N-[(3-methylphenyl)methyl]butane-1,2-diamine?
The canonical SMILES for 4-methoxy-1-N-methyl-1-N-[(3-methylphenyl)methyl]butane-1,2-diamine is COCCC(N)CN(C)Cc1cccc(C)c1.
What is the InChIKey of 4-methoxy-1-N-methyl-1-N-[(3-methylphenyl)methyl]butane-1,2-diamine?
The InChIKey is LFIRHTCWUDDREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-12-5-4-6-13(9-12)10-16(2)11-14(15)7-8-17-3/h4-6,9,14H,7-8,10-11,15H2,1-3H3.
What are the key properties of 4-methoxy-1-N-methyl-1-N-[(3-methylphenyl)methyl]butane-1,2-diamine?
4-methoxy-1-N-methyl-1-N-[(3-methylphenyl)methyl]butane-1,2-diamine has a molecular weight of 236.36 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-N-methyl-1-N-[(3-methylphenyl)methyl]butane-1,2-diamine is sourced from PubChem (CID 55080874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).