4-(2-methoxyphenyl)butane-1,3-diamine

C11H18N2O — CID 154072972

IUPAC4-(2-methoxyphenyl)butane-1,3-diamine
SMILESCOc1ccccc1CC(N)CCN
InChIInChI=1S/C11H18N2O/c1-14-11-5-3-2-4-9(11)8-10(13)6-7-12/h2-5,10H,6-8,12-13H2,1H3
InChIKeyZOCDVFFBKZEJMY-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.91
Rot. Bonds5

About 4-(2-methoxyphenyl)butane-1,3-diamine

4-(2-methoxyphenyl)butane-1,3-diamine (PubChem CID 154072972) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)butane-1,3-diamine.

Molecular Properties

Compound Name4-(2-methoxyphenyl)butane-1,3-diamine
PubChem CID154072972
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name4-(2-methoxyphenyl)butane-1,3-diamine
SMILESCOc1ccccc1CC(N)CCN
InChIInChI=1S/C11H18N2O/c1-14-11-5-3-2-4-9(11)8-10(13)6-7-12/h2-5,10H,6-8,12-13H2,1H3
InChIKeyZOCDVFFBKZEJMY-UHFFFAOYSA-N
XLogP0.91
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(2-methoxyphenyl)butane-1,3-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-(2-methoxyphenyl)-4-methylsulfonylbutan-2-amine
CID 62600844
1-N,1-N-diethyl-4-(2-methoxyphenyl)butane-1,3-diamine
CID 79087707
4-ethylsulfonyl-1-(2-methoxyphenyl)butan-2-amine
CID 65017667
1-(2-bromophenyl)-3-(2-methoxyphenyl)propan-2-amine
CID 61261607
1-(2,3-difluorophenyl)-3-(2-methoxyphenyl)propan-2-amine
CID 62602325
1-(2-methoxyphenyl)propan-2-amine;hydrochloride
CID 3029810
(1S)-1,2-bis(2-methoxyphenyl)ethanamine
CID 36689288
(1R)-1,2-bis(2-methoxyphenyl)ethanamine
CID 40618713
3-(2-methoxyphenyl)-2-methylpropan-1-amine
CID 22024848
(1S)-1-(2-methoxyphenyl)propane-1,3-diamine
CID 171219974
1-(4-bromo-2-fluorophenyl)-3-(2-methoxyphenyl)propan-2-amine
CID 62602156
1-(2-methoxyphenyl)-3-propylsulfanylpropan-2-amine
CID 65128844

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)butane-1,3-diamine?
The IUPAC name of 4-(2-methoxyphenyl)butane-1,3-diamine (CID 154072972) is 4-(2-methoxyphenyl)butane-1,3-diamine.
What is the SMILES notation for 4-(2-methoxyphenyl)butane-1,3-diamine?
The canonical SMILES for 4-(2-methoxyphenyl)butane-1,3-diamine is COc1ccccc1CC(N)CCN.
What is the InChIKey of 4-(2-methoxyphenyl)butane-1,3-diamine?
The InChIKey is ZOCDVFFBKZEJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-14-11-5-3-2-4-9(11)8-10(13)6-7-12/h2-5,10H,6-8,12-13H2,1H3.
What are the key properties of 4-(2-methoxyphenyl)butane-1,3-diamine?
4-(2-methoxyphenyl)butane-1,3-diamine has a molecular weight of 194.28 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)butane-1,3-diamine is sourced from PubChem (CID 154072972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).