3-[3-(aminomethyl)phenoxy]butanenitrile

C11H14N2O — CID 106485040

IUPAC3-[3-(aminomethyl)phenoxy]butanenitrile
SMILESCC(CC#N)Oc1cccc(CN)c1
InChIInChI=1S/C11H14N2O/c1-9(5-6-12)14-11-4-2-3-10(7-11)8-13/h2-4,7,9H,5,8,13H2,1H3
InChIKeyIOAVFQBVYDERHZ-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.83
Rot. Bonds4

About 3-[3-(aminomethyl)phenoxy]butanenitrile

3-[3-(aminomethyl)phenoxy]butanenitrile (PubChem CID 106485040) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 3-[3-(aminomethyl)phenoxy]butanenitrile.

Molecular Properties

Compound Name3-[3-(aminomethyl)phenoxy]butanenitrile
PubChem CID106485040
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name3-[3-(aminomethyl)phenoxy]butanenitrile
SMILESCC(CC#N)Oc1cccc(CN)c1
InChIInChI=1S/C11H14N2O/c1-9(5-6-12)14-11-4-2-3-10(7-11)8-13/h2-4,7,9H,5,8,13H2,1H3
InChIKeyIOAVFQBVYDERHZ-UHFFFAOYSA-N
XLogP1.83
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[3-(aminomethyl)phenoxy]butanenitrile 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-[3-(aminomethyl)phenoxy]-3-phenylpropanenitrile
CID 106485258
2-[3-(aminomethyl)phenoxy]butanenitrile;hydrochloride
CID 54593305
3-[3-(aminomethyl)phenoxy]-N,N-diethylbutan-1-amine
CID 82037287
[3-(1,3-difluoropropan-2-yloxy)phenyl]methanamine
CID 58218153
[3-[4-(4-methylpiperazin-1-yl)butan-2-yloxy]phenyl]methanamine
CID 82037299
3-(1-aminopropan-2-yloxy)benzonitrile
CID 82224541
4-(1-cyanopropan-2-yloxy)benzamide
CID 114995162
[3-(3-propan-2-ylphenoxy)phenyl]methanamine
CID 63943480
3-[3-(methylaminomethyl)phenoxy]pentanenitrile
CID 106485978
[3-(1-pyridin-3-ylethoxy)phenyl]methanamine
CID 82037282
[3-[2-(2-methylpropoxy)ethoxy]phenyl]methanamine
CID 43254178
2-[3-(aminomethyl)phenoxy]butanamide
CID 55210264

Frequently Asked Questions

What is the IUPAC name of 3-[3-(aminomethyl)phenoxy]butanenitrile?
The IUPAC name of 3-[3-(aminomethyl)phenoxy]butanenitrile (CID 106485040) is 3-[3-(aminomethyl)phenoxy]butanenitrile.
What is the SMILES notation for 3-[3-(aminomethyl)phenoxy]butanenitrile?
The canonical SMILES for 3-[3-(aminomethyl)phenoxy]butanenitrile is CC(CC#N)Oc1cccc(CN)c1.
What is the InChIKey of 3-[3-(aminomethyl)phenoxy]butanenitrile?
The InChIKey is IOAVFQBVYDERHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-9(5-6-12)14-11-4-2-3-10(7-11)8-13/h2-4,7,9H,5,8,13H2,1H3.
What are the key properties of 3-[3-(aminomethyl)phenoxy]butanenitrile?
3-[3-(aminomethyl)phenoxy]butanenitrile has a molecular weight of 190.25 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(aminomethyl)phenoxy]butanenitrile is sourced from PubChem (CID 106485040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).