1-(4-chlorophenyl)-N-methylazetidin-3-amine

C10H13ClN2 — CID 117002912

IUPAC1-(4-chlorophenyl)-N-methylazetidin-3-amine
SMILESCNC1CN(c2ccc(Cl)cc2)C1
InChIInChI=1S/C10H13ClN2/c1-12-9-6-13(7-9)10-4-2-8(11)3-5-10/h2-5,9,12H,6-7H2,1H3
InChIKeyPEBQADCFPBJNRI-UHFFFAOYSA-N
MW196.68 g/mol
LogP1.75
Rot. Bonds2

About 1-(4-chlorophenyl)-N-methylazetidin-3-amine

1-(4-chlorophenyl)-N-methylazetidin-3-amine (PubChem CID 117002912) has the molecular formula C10H13ClN2 and a molecular weight of 196.68 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-methylazetidin-3-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-methylazetidin-3-amine
PubChem CID117002912
Molecular FormulaC10H13ClN2
Molecular Weight196.68 g/mol
Exact Mass196.08
IUPAC Name1-(4-chlorophenyl)-N-methylazetidin-3-amine
SMILESCNC1CN(c2ccc(Cl)cc2)C1
InChIInChI=1S/C10H13ClN2/c1-12-9-6-13(7-9)10-4-2-8(11)3-5-10/h2-5,9,12H,6-7H2,1H3
InChIKeyPEBQADCFPBJNRI-UHFFFAOYSA-N
XLogP1.75
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4R)-1-(4-chlorophenyl)pyrrolidine-3,4-diol
CID 95562583
1-(4-chlorophenyl)-3,5-dimethylpiperazine
CID 22633049
1-(5-chloro-2-methylphenyl)-N-methylazetidin-3-amine
CID 117002914
1-(5-chloro-2-pyridinyl)-N-methylazetidin-3-amine
CID 135136650
1-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-5-methylpiperidin-3-amine
CID 83995167
8-(4-chlorophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 55106091
1-(5-chloro-2-methoxyphenyl)-N-methylazetidin-3-amine
CID 117002920
1-(3,4-difluorophenyl)-N,5-dimethylpiperidin-3-amine
CID 83989825
N-[(4-chlorophenyl)methyl]-1-[4-(3,5-dimethylpiperidin-1-yl)phenyl]methanamine
CID 110823411
(3R)-N-methyl-1-(4-methylphenyl)pyrrolidin-3-amine
CID 93285994
(3R)-1-(4-chlorophenyl)-N-methylpyrrolidine-3-carboxamide
CID 134288449
1-(3,4-dichlorophenyl)-N-methylpyrrolidin-3-amine
CID 60860458

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-methylazetidin-3-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-methylazetidin-3-amine (CID 117002912) is 1-(4-chlorophenyl)-N-methylazetidin-3-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-methylazetidin-3-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-methylazetidin-3-amine is CNC1CN(c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-(4-chlorophenyl)-N-methylazetidin-3-amine?
The InChIKey is PEBQADCFPBJNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2/c1-12-9-6-13(7-9)10-4-2-8(11)3-5-10/h2-5,9,12H,6-7H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-methylazetidin-3-amine?
1-(4-chlorophenyl)-N-methylazetidin-3-amine has a molecular weight of 196.68 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-methylazetidin-3-amine is sourced from PubChem (CID 117002912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).