1-(azetidin-3-yl)-N-[(4-ethylphenyl)methyl]methanamine

C13H20N2 — CID 115207473

IUPAC1-(azetidin-3-yl)-N-[(4-ethylphenyl)methyl]methanamine
SMILESCCc1ccc(CNCC2CNC2)cc1
InChIInChI=1S/C13H20N2/c1-2-11-3-5-12(6-4-11)7-14-8-13-9-15-10-13/h3-6,13-15H,2,7-10H2,1H3
InChIKeyKUGNIJRYIYVATG-UHFFFAOYSA-N
MW204.32 g/mol
LogP1.56
Rot. Bonds5

About 1-(azetidin-3-yl)-N-[(4-ethylphenyl)methyl]methanamine

1-(azetidin-3-yl)-N-[(4-ethylphenyl)methyl]methanamine (PubChem CID 115207473) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-N-[(4-ethylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(azetidin-3-yl)-N-[(4-ethylphenyl)methyl]methanamine
PubChem CID115207473
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name1-(azetidin-3-yl)-N-[(4-ethylphenyl)methyl]methanamine
SMILESCCc1ccc(CNCC2CNC2)cc1
InChIInChI=1S/C13H20N2/c1-2-11-3-5-12(6-4-11)7-14-8-13-9-15-10-13/h3-6,13-15H,2,7-10H2,1H3
InChIKeyKUGNIJRYIYVATG-UHFFFAOYSA-N
XLogP1.56
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(azetidin-3-yl)-N-[(4-ethylphenyl)methyl]methanamine 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-(4-ethylcyclohexyl)-N-[(4-ethylphenyl)methyl]methanamine
CID 63451562
1-(azetidin-3-yl)-N-[(4-methoxy-3-methylphenyl)methyl]methanamine
CID 115207484
N-benzyl-1-(5-methylpiperidin-3-yl)methanamine
CID 130854883
1-(3-chlorocyclohexyl)-N-[(4-ethylphenyl)methyl]methanamine
CID 114146431
1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(4-ethylphenyl)methyl]methanamine
CID 106899565
N-ethyl-N-[[4-[(piperidin-3-ylmethylamino)methyl]phenyl]methyl]ethanamine
CID 80553737
1-(2-adamantyl)-N-[(4-ethylphenyl)methyl]methanamine
CID 146000383
N-benzyl-1-[(3S)-pyrrolidin-3-yl]methanamine
CID 10726362
N-[(4-methoxyphenyl)methyl]-1-piperidin-3-ylmethanamine
CID 80553020
6-[(azetidin-3-ylmethylamino)methyl]-2-methyl-4H-1,4-benzoxazin-3-one
CID 115207554
1-(azetidin-3-yl)-N-[[3-[(4-butylphenyl)methoxy]-5-phenylmethoxyphenyl]methyl]methanamine
CID 135174192
4-[[(4-propan-2-ylphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962692

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-N-[(4-ethylphenyl)methyl]methanamine?
The IUPAC name of 1-(azetidin-3-yl)-N-[(4-ethylphenyl)methyl]methanamine (CID 115207473) is 1-(azetidin-3-yl)-N-[(4-ethylphenyl)methyl]methanamine.
What is the SMILES notation for 1-(azetidin-3-yl)-N-[(4-ethylphenyl)methyl]methanamine?
The canonical SMILES for 1-(azetidin-3-yl)-N-[(4-ethylphenyl)methyl]methanamine is CCc1ccc(CNCC2CNC2)cc1.
What is the InChIKey of 1-(azetidin-3-yl)-N-[(4-ethylphenyl)methyl]methanamine?
The InChIKey is KUGNIJRYIYVATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-2-11-3-5-12(6-4-11)7-14-8-13-9-15-10-13/h3-6,13-15H,2,7-10H2,1H3.
What are the key properties of 1-(azetidin-3-yl)-N-[(4-ethylphenyl)methyl]methanamine?
1-(azetidin-3-yl)-N-[(4-ethylphenyl)methyl]methanamine has a molecular weight of 204.32 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-N-[(4-ethylphenyl)methyl]methanamine is sourced from PubChem (CID 115207473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).