N-[(4-chlorophenyl)methyl]-N-methyl-1-pyridin-2-ylazetidin-3-amine

C16H18ClN3 — CID 146074522

IUPACN-[(4-chlorophenyl)methyl]-N-methyl-1-pyridin-2-ylazetidin-3-amine
SMILESCN(Cc1ccc(Cl)cc1)C1CN(c2ccccn2)C1
InChIInChI=1S/C16H18ClN3/c1-19(10-13-5-7-14(17)8-6-13)15-11-20(12-15)16-4-2-3-9-18-16/h2-9,15H,10-12H2,1H3
InChIKeyBZTHXERAAQVMJJ-UHFFFAOYSA-N
MW287.79 g/mol
LogP3.06
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-N-methyl-1-pyridin-2-ylazetidin-3-amine

N-[(4-chlorophenyl)methyl]-N-methyl-1-pyridin-2-ylazetidin-3-amine (PubChem CID 146074522) has the molecular formula C16H18ClN3 and a molecular weight of 287.79 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-methyl-1-pyridin-2-ylazetidin-3-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-methyl-1-pyridin-2-ylazetidin-3-amine
PubChem CID146074522
Molecular FormulaC16H18ClN3
Molecular Weight287.79 g/mol
Exact Mass287.12
IUPAC NameN-[(4-chlorophenyl)methyl]-N-methyl-1-pyridin-2-ylazetidin-3-amine
SMILESCN(Cc1ccc(Cl)cc1)C1CN(c2ccccn2)C1
InChIInChI=1S/C16H18ClN3/c1-19(10-13-5-7-14(17)8-6-13)15-11-20(12-15)16-4-2-3-9-18-16/h2-9,15H,10-12H2,1H3
InChIKeyBZTHXERAAQVMJJ-UHFFFAOYSA-N
XLogP3.06
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-methyl-N-[(6-methyl-3-pyridinyl)methyl]-1-pyridin-2-ylpiperidin-3-amine
CID 124975782
N-[(4-chlorophenyl)methyl]-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]acetamide
CID 113162741
(3R)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-1-pyridin-2-ylpiperidin-3-amine
CID 124997613
N-benzyl-1-[(4-chlorophenyl)methyl]-N-methylpiperidin-4-amine
CID 806863
(2S)-2-[(4-chlorophenyl)methyl]-4-methyl-1-(1-pyridin-2-ylpiperidin-4-yl)piperazine
CID 168679011
N-benzyl-N-methyl-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine
CID 126919881
6,6-difluoro-3-pyridin-2-yl-3-azabicyclo[3.1.0]hexane
CID 175933768
N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-1-pyridin-2-ylpiperidin-3-amine
CID 110107200
N-methyl-N-(1-pyridin-2-ylpiperidin-3-yl)ethanesulfonamide
CID 110107181
6-methoxy-N-methyl-N-(1-pyridin-2-ylazetidin-3-yl)pyrimidin-4-amine
CID 154583133
(3S)-N-methyl-1-pyridin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-amine
CID 125000459
(5S)-5-[(4-chlorophenyl)methyl]-2-cyclopropyl-1-methyl-4-(1-pyridin-2-ylpiperidin-4-yl)piperazine
CID 170197918

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-methyl-1-pyridin-2-ylazetidin-3-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-methyl-1-pyridin-2-ylazetidin-3-amine (CID 146074522) is N-[(4-chlorophenyl)methyl]-N-methyl-1-pyridin-2-ylazetidin-3-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-methyl-1-pyridin-2-ylazetidin-3-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-methyl-1-pyridin-2-ylazetidin-3-amine is CN(Cc1ccc(Cl)cc1)C1CN(c2ccccn2)C1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-methyl-1-pyridin-2-ylazetidin-3-amine?
The InChIKey is BZTHXERAAQVMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3/c1-19(10-13-5-7-14(17)8-6-13)15-11-20(12-15)16-4-2-3-9-18-16/h2-9,15H,10-12H2,1H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-methyl-1-pyridin-2-ylazetidin-3-amine?
N-[(4-chlorophenyl)methyl]-N-methyl-1-pyridin-2-ylazetidin-3-amine has a molecular weight of 287.79 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-methyl-1-pyridin-2-ylazetidin-3-amine is sourced from PubChem (CID 146074522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).