1-(3-chloro-2-methylphenyl)azetidin-3-amine

C10H13ClN2 — CID 117002816

IUPAC1-(3-chloro-2-methylphenyl)azetidin-3-amine
SMILESCc1c(Cl)cccc1N1CC(N)C1
InChIInChI=1S/C10H13ClN2/c1-7-9(11)3-2-4-10(7)13-5-8(12)6-13/h2-4,8H,5-6,12H2,1H3
InChIKeyNWSCUBILMVDANX-UHFFFAOYSA-N
MW196.68 g/mol
LogP1.80
Rot. Bonds1

About 1-(3-chloro-2-methylphenyl)azetidin-3-amine

1-(3-chloro-2-methylphenyl)azetidin-3-amine (PubChem CID 117002816) has the molecular formula C10H13ClN2 and a molecular weight of 196.68 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)azetidin-3-amine.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)azetidin-3-amine
PubChem CID117002816
Molecular FormulaC10H13ClN2
Molecular Weight196.68 g/mol
Exact Mass196.08
IUPAC Name1-(3-chloro-2-methylphenyl)azetidin-3-amine
SMILESCc1c(Cl)cccc1N1CC(N)C1
InChIInChI=1S/C10H13ClN2/c1-7-9(11)3-2-4-10(7)13-5-8(12)6-13/h2-4,8H,5-6,12H2,1H3
InChIKeyNWSCUBILMVDANX-UHFFFAOYSA-N
XLogP1.80
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-(3-chloro-2-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62740684
1-(3-chloro-2-methylphenyl)-4-oxopyrrolidine-3-carbonitrile
CID 102537347
4-(3-chloro-2-methylphenyl)morpholine-2-carboxylic acid
CID 117008772
1-(2-methyl-1-benzothiophen-4-yl)azetidin-3-amine
CID 96609711
(2R,6R)-1-(3-chloro-2-methylphenyl)-2,6-dimethylpiperazine
CID 42079394
(2S,6S)-1-(3-chloro-2-methylphenyl)-2,6-dimethylpiperazine
CID 42079396
1-(3-amino-2-methylphenyl)pyrrolidine-3,4-diol
CID 106667572
1-(3-chloro-2-methylphenyl)-3-propyl-1,4-diazepane
CID 64945541
1-(3-chloro-2-methylphenyl)-4-pentylpiperazine
CID 20649335
1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711657
[4-(3-chloro-2-methylphenyl)piperazin-1-yl]-(4-chlorophenyl)methanone
CID 113076731
[4-(aminomethyl)pyrrolidin-2-yl]-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]methanone
CID 22458481

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)azetidin-3-amine?
The IUPAC name of 1-(3-chloro-2-methylphenyl)azetidin-3-amine (CID 117002816) is 1-(3-chloro-2-methylphenyl)azetidin-3-amine.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)azetidin-3-amine?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)azetidin-3-amine is Cc1c(Cl)cccc1N1CC(N)C1.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)azetidin-3-amine?
The InChIKey is NWSCUBILMVDANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2/c1-7-9(11)3-2-4-10(7)13-5-8(12)6-13/h2-4,8H,5-6,12H2,1H3.
What are the key properties of 1-(3-chloro-2-methylphenyl)azetidin-3-amine?
1-(3-chloro-2-methylphenyl)azetidin-3-amine has a molecular weight of 196.68 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)azetidin-3-amine is sourced from PubChem (CID 117002816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).