2-(azetidin-1-yl)-1-(4-chloro-3-methylphenyl)ethanamine

C12H17ClN2 — CID 175078061

IUPAC2-(azetidin-1-yl)-1-(4-chloro-3-methylphenyl)ethanamine
SMILESCc1cc(C(N)CN2CCC2)ccc1Cl
InChIInChI=1S/C12H17ClN2/c1-9-7-10(3-4-11(9)13)12(14)8-15-5-2-6-15/h3-4,7,12H,2,5-6,8,14H2,1H3
InChIKeyCJFCIXVOUYHLPH-UHFFFAOYSA-N
MW224.74 g/mol
LogP2.35
Rot. Bonds3

About 2-(azetidin-1-yl)-1-(4-chloro-3-methylphenyl)ethanamine

2-(azetidin-1-yl)-1-(4-chloro-3-methylphenyl)ethanamine (PubChem CID 175078061) has the molecular formula C12H17ClN2 and a molecular weight of 224.74 g/mol. Its IUPAC name is 2-(azetidin-1-yl)-1-(4-chloro-3-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(azetidin-1-yl)-1-(4-chloro-3-methylphenyl)ethanamine
PubChem CID175078061
Molecular FormulaC12H17ClN2
Molecular Weight224.74 g/mol
Exact Mass224.11
IUPAC Name2-(azetidin-1-yl)-1-(4-chloro-3-methylphenyl)ethanamine
SMILESCc1cc(C(N)CN2CCC2)ccc1Cl
InChIInChI=1S/C12H17ClN2/c1-9-7-10(3-4-11(9)13)12(14)8-15-5-2-6-15/h3-4,7,12H,2,5-6,8,14H2,1H3
InChIKeyCJFCIXVOUYHLPH-UHFFFAOYSA-N
XLogP2.35
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.74
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(azetidin-1-yl)-1-(3,4-dichlorophenyl)ethanamine
CID 142799873
(1S)-2-(azetidin-1-yl)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethanamine
CID 90190177
1-(4-chloro-3-methylphenyl)ethane-1,2-diamine
CID 55274034
1-(4-chloro-3-methylphenyl)propan-1-amine
CID 15594744
1-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylethanamine
CID 16643528
(1S)-1-(4-chloro-3-methylphenyl)pentan-1-amine
CID 171231485
2-(4-methyl-1,4-diazepan-1-yl)-1-(4-methylphenyl)ethanamine
CID 43211438
1-[4-[2-amino-2-(3,4-dimethylphenyl)ethyl]piperazin-1-yl]ethanone
CID 18069751
3-(azepan-1-yl)-1-(4-chloro-3-methylphenyl)propan-1-ol
CID 82074595
(1R)-2-(azetidin-1-yl)-1-phenylethanamine
CID 58948538
(1R)-1-(4-chloro-3-methylphenyl)-3-methylbut-3-en-1-amine
CID 131625308
1-(4-chloro-3-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 115828896

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-1-yl)-1-(4-chloro-3-methylphenyl)ethanamine?
The IUPAC name of 2-(azetidin-1-yl)-1-(4-chloro-3-methylphenyl)ethanamine (CID 175078061) is 2-(azetidin-1-yl)-1-(4-chloro-3-methylphenyl)ethanamine.
What is the SMILES notation for 2-(azetidin-1-yl)-1-(4-chloro-3-methylphenyl)ethanamine?
The canonical SMILES for 2-(azetidin-1-yl)-1-(4-chloro-3-methylphenyl)ethanamine is Cc1cc(C(N)CN2CCC2)ccc1Cl.
What is the InChIKey of 2-(azetidin-1-yl)-1-(4-chloro-3-methylphenyl)ethanamine?
The InChIKey is CJFCIXVOUYHLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c1-9-7-10(3-4-11(9)13)12(14)8-15-5-2-6-15/h3-4,7,12H,2,5-6,8,14H2,1H3.
What are the key properties of 2-(azetidin-1-yl)-1-(4-chloro-3-methylphenyl)ethanamine?
2-(azetidin-1-yl)-1-(4-chloro-3-methylphenyl)ethanamine has a molecular weight of 224.74 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-1-yl)-1-(4-chloro-3-methylphenyl)ethanamine is sourced from PubChem (CID 175078061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).