3-(aminomethyl)-N-(3-methylphenyl)oxolan-3-amine

C12H18N2O — CID 65377574

IUPAC3-(aminomethyl)-N-(3-methylphenyl)oxolan-3-amine
SMILESCc1cccc(NC2(CN)CCOC2)c1
InChIInChI=1S/C12H18N2O/c1-10-3-2-4-11(7-10)14-12(8-13)5-6-15-9-12/h2-4,7,14H,5-6,8-9,13H2,1H3
InChIKeyGYUAVFJVNKAWDI-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.52
Rot. Bonds3

About 3-(aminomethyl)-N-(3-methylphenyl)oxolan-3-amine

3-(aminomethyl)-N-(3-methylphenyl)oxolan-3-amine (PubChem CID 65377574) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(3-methylphenyl)oxolan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-(3-methylphenyl)oxolan-3-amine
PubChem CID65377574
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3-(aminomethyl)-N-(3-methylphenyl)oxolan-3-amine
SMILESCc1cccc(NC2(CN)CCOC2)c1
InChIInChI=1S/C12H18N2O/c1-10-3-2-4-11(7-10)14-12(8-13)5-6-15-9-12/h2-4,7,14H,5-6,8-9,13H2,1H3
InChIKeyGYUAVFJVNKAWDI-UHFFFAOYSA-N
XLogP1.52
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(aminomethyl)-N-(3-methylphenyl)oxolan-3-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

3-(aminomethyl)-N-(4-methylphenyl)oxolan-3-amine
CID 65378588
3-[[4-(aminomethyl)oxan-4-yl]amino]phenol
CID 105479234
N-[1-(aminomethyl)-3-methylcyclohexyl]-3-methylaniline
CID 65379249
N-[4-(aminomethyl)oxan-4-yl]-3-methylbenzenesulfonamide
CID 106297755
N-[1-(aminomethyl)-3-ethoxycyclobutyl]-3-methylaniline
CID 106822170
4-(aminomethyl)-N-(4-bromo-3,5-dimethylphenyl)oxan-4-amine
CID 107573137
[4-(3-methylanilino)piperidin-4-yl]methanol;hydrochloride
CID 21193427
3-(aminomethyl)-N-benzyloxolan-3-amine
CID 65384002
N-[1-(aminomethyl)-2,4,4-trimethylcyclohexyl]-3-methylaniline
CID 81321624
4-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)oxan-4-amine
CID 114839044
N-[1-(aminomethyl)-2,3-dimethylcyclohexyl]-3-methylaniline
CID 65378408
4-(aminomethyl)-N-(4-fluorophenyl)oxan-4-amine
CID 65376671

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(3-methylphenyl)oxolan-3-amine?
The IUPAC name of 3-(aminomethyl)-N-(3-methylphenyl)oxolan-3-amine (CID 65377574) is 3-(aminomethyl)-N-(3-methylphenyl)oxolan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-(3-methylphenyl)oxolan-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-(3-methylphenyl)oxolan-3-amine is Cc1cccc(NC2(CN)CCOC2)c1.
What is the InChIKey of 3-(aminomethyl)-N-(3-methylphenyl)oxolan-3-amine?
The InChIKey is GYUAVFJVNKAWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-10-3-2-4-11(7-10)14-12(8-13)5-6-15-9-12/h2-4,7,14H,5-6,8-9,13H2,1H3.
What are the key properties of 3-(aminomethyl)-N-(3-methylphenyl)oxolan-3-amine?
3-(aminomethyl)-N-(3-methylphenyl)oxolan-3-amine has a molecular weight of 206.29 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(3-methylphenyl)oxolan-3-amine is sourced from PubChem (CID 65377574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).