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

C10H13ClN2 — CID 105450394

IUPACN-(4-chlorophenyl)-N-methylazetidin-3-amine
SMILESCN(c1ccc(Cl)cc1)C1CNC1
InChIInChI=1S/C10H13ClN2/c1-13(10-6-12-7-10)9-4-2-8(11)3-5-9/h2-5,10,12H,6-7H2,1H3
InChIKeyHRDKXCWKVQETMV-UHFFFAOYSA-N
MW196.68 g/mol
LogP1.75
Rot. Bonds2

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

N-(4-chlorophenyl)-N-methylazetidin-3-amine (PubChem CID 105450394) has the molecular formula C10H13ClN2 and a molecular weight of 196.68 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-methylazetidin-3-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-methylazetidin-3-amine
PubChem CID105450394
Molecular FormulaC10H13ClN2
Molecular Weight196.68 g/mol
Exact Mass196.08
IUPAC NameN-(4-chlorophenyl)-N-methylazetidin-3-amine
SMILESCN(c1ccc(Cl)cc1)C1CNC1
InChIInChI=1S/C10H13ClN2/c1-13(10-6-12-7-10)9-4-2-8(11)3-5-9/h2-5,10,12H,6-7H2,1H3
InChIKeyHRDKXCWKVQETMV-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

N-(4-chlorophenyl)-N-methylpiperidin-4-amine
CID 67274913
N-(3,4-difluorophenyl)-N-methylazetidin-3-amine
CID 117040558
N-(2-chlorophenyl)-N-methylazetidin-3-amine
CID 105450392
N-(5-chlorothiophen-2-yl)-N-methylazetidin-3-amine
CID 117040547
4-[azetidin-3-yl(methyl)amino]-N-methylbenzenesulfonamide
CID 66183974
N-(2,3-dihydro-1H-inden-5-yl)-N-methylazetidin-3-amine
CID 117040535
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylazetidin-3-amine
CID 117040529
N-(2-chloro-4-nitrophenyl)-N-methylazetidin-3-amine
CID 66181832
4-[azetidin-3-yl(methyl)amino]-N-propan-2-ylbenzenesulfonamide
CID 66183971
4-chloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63298347
N-(4-methoxy-3-methylphenyl)-N-methylazetidin-3-amine
CID 117040526
4-[azetidin-3-yl(methyl)amino]-3-fluorobenzonitrile
CID 66182913

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-methylazetidin-3-amine?
The IUPAC name of N-(4-chlorophenyl)-N-methylazetidin-3-amine (CID 105450394) is N-(4-chlorophenyl)-N-methylazetidin-3-amine.
What is the SMILES notation for N-(4-chlorophenyl)-N-methylazetidin-3-amine?
The canonical SMILES for N-(4-chlorophenyl)-N-methylazetidin-3-amine is CN(c1ccc(Cl)cc1)C1CNC1.
What is the InChIKey of N-(4-chlorophenyl)-N-methylazetidin-3-amine?
The InChIKey is HRDKXCWKVQETMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2/c1-13(10-6-12-7-10)9-4-2-8(11)3-5-9/h2-5,10,12H,6-7H2,1H3.
What are the key properties of N-(4-chlorophenyl)-N-methylazetidin-3-amine?
N-(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 N-(4-chlorophenyl)-N-methylazetidin-3-amine is sourced from PubChem (CID 105450394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).