3-(5-chloro-2-methylphenyl)azetidin-3-amine

C10H13ClN2 — CID 166608836

IUPAC3-(5-chloro-2-methylphenyl)azetidin-3-amine
SMILESCc1ccc(Cl)cc1C1(N)CNC1
InChIInChI=1S/C10H13ClN2/c1-7-2-3-8(11)4-9(7)10(12)5-13-6-10/h2-4,13H,5-6,12H2,1H3
InChIKeySVVXTPFWNMFESB-UHFFFAOYSA-N
MW196.68 g/mol
LogP1.41
Rot. Bonds1

About 3-(5-chloro-2-methylphenyl)azetidin-3-amine

3-(5-chloro-2-methylphenyl)azetidin-3-amine (PubChem CID 166608836) has the molecular formula C10H13ClN2 and a molecular weight of 196.68 g/mol. Its IUPAC name is 3-(5-chloro-2-methylphenyl)azetidin-3-amine.

Molecular Properties

Compound Name3-(5-chloro-2-methylphenyl)azetidin-3-amine
PubChem CID166608836
Molecular FormulaC10H13ClN2
Molecular Weight196.68 g/mol
Exact Mass196.08
IUPAC Name3-(5-chloro-2-methylphenyl)azetidin-3-amine
SMILESCc1ccc(Cl)cc1C1(N)CNC1
InChIInChI=1S/C10H13ClN2/c1-7-2-3-8(11)4-9(7)10(12)5-13-6-10/h2-4,13H,5-6,12H2,1H3
InChIKeySVVXTPFWNMFESB-UHFFFAOYSA-N
XLogP1.41
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chloro-2-methylphenyl)azetidin-3-amine
CID 166608774
3-(5-fluoro-2-methylphenyl)azetidin-3-amine;hydrochloride
CID 166607949
3-(4-methylnaphthalen-1-yl)azetidin-3-amine
CID 166608721
3-(2-fluoro-4-methylphenyl)azetidin-3-amine;hydrochloride
CID 166607898
3-[2-(4-chlorophenyl)phenyl]azetidin-3-amine;hydrochloride
CID 166608972
3-(4-bromo-2,3-dimethylphenyl)azetidin-3-amine
CID 166608633
3-(2-fluoro-6-methylphenyl)azetidin-3-amine;hydrochloride
CID 166608796
1-(5-chloro-2,3-dimethylphenyl)cyclopropan-1-amine
CID 84773855
3-[(4-chlorophenyl)methyl]-3-(2-methylphenyl)azetidine
CID 79460872
1-amino-N-(5-chloro-2-methylphenyl)cyclopropane-1-carboxamide
CID 65465047
3-[2-fluoro-4-(trifluoromethyl)phenyl]azetidin-3-amine
CID 166607944
1-(5-fluoro-2-methylphenyl)-3,3-dimethylcyclopentan-1-amine
CID 80692665

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methylphenyl)azetidin-3-amine?
The IUPAC name of 3-(5-chloro-2-methylphenyl)azetidin-3-amine (CID 166608836) is 3-(5-chloro-2-methylphenyl)azetidin-3-amine.
What is the SMILES notation for 3-(5-chloro-2-methylphenyl)azetidin-3-amine?
The canonical SMILES for 3-(5-chloro-2-methylphenyl)azetidin-3-amine is Cc1ccc(Cl)cc1C1(N)CNC1.
What is the InChIKey of 3-(5-chloro-2-methylphenyl)azetidin-3-amine?
The InChIKey is SVVXTPFWNMFESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2/c1-7-2-3-8(11)4-9(7)10(12)5-13-6-10/h2-4,13H,5-6,12H2,1H3.
What are the key properties of 3-(5-chloro-2-methylphenyl)azetidin-3-amine?
3-(5-chloro-2-methylphenyl)azetidin-3-amine has a molecular weight of 196.68 g/mol, XLogP of 1.41, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methylphenyl)azetidin-3-amine is sourced from PubChem (CID 166608836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).