3-(3-chlorophenyl)-N-(pyridin-4-ylmethyl)cyclobutan-1-amine

C16H17ClN2 — CID 43634506

IUPAC3-(3-chlorophenyl)-N-(pyridin-4-ylmethyl)cyclobutan-1-amine
SMILESClc1cccc(C2CC(NCc3ccncc3)C2)c1
InChIInChI=1S/C16H17ClN2/c17-15-3-1-2-13(8-15)14-9-16(10-14)19-11-12-4-6-18-7-5-12/h1-8,14,16,19H,9-11H2
InChIKeyANLYKLSBRXYTJM-UHFFFAOYSA-N
MW272.78 g/mol
LogP3.77
Rot. Bonds4

About 3-(3-chlorophenyl)-N-(pyridin-4-ylmethyl)cyclobutan-1-amine

3-(3-chlorophenyl)-N-(pyridin-4-ylmethyl)cyclobutan-1-amine (PubChem CID 43634506) has the molecular formula C16H17ClN2 and a molecular weight of 272.78 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-(pyridin-4-ylmethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-(pyridin-4-ylmethyl)cyclobutan-1-amine
PubChem CID43634506
Molecular FormulaC16H17ClN2
Molecular Weight272.78 g/mol
Exact Mass272.11
IUPAC Name3-(3-chlorophenyl)-N-(pyridin-4-ylmethyl)cyclobutan-1-amine
SMILESClc1cccc(C2CC(NCc3ccncc3)C2)c1
InChIInChI=1S/C16H17ClN2/c17-15-3-1-2-13(8-15)14-9-16(10-14)19-11-12-4-6-18-7-5-12/h1-8,14,16,19H,9-11H2
InChIKeyANLYKLSBRXYTJM-UHFFFAOYSA-N
XLogP3.77
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-5-(3-chlorophenyl)-1-methylpiperidin-3-amine
CID 83993474
1-[[3-(3-chlorophenyl)cyclobutyl]amino]-2-methylpropan-2-ol
CID 65103831
3-(3-chlorophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclobutan-1-amine
CID 63280117
N-[3-(3-chlorophenyl)cyclobutyl]-N',N'-diethylethane-1,2-diamine
CID 43633399
3-(2-bromophenyl)-N-(pyridin-4-ylmethyl)cyclobutan-1-amine
CID 43634508
1-N-[3-(3-chlorophenyl)cyclobutyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 43634275
4-[[[3-(3-chlorophenyl)cyclobutyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106380327
4-[[3-(3-chlorophenyl)cyclobutyl]amino]butanoic acid
CID 60782735
2-[[3-(3-chlorophenyl)cyclobutyl]amino]-N,N-dimethylacetamide
CID 43635314
3-(3-chlorophenyl)-N-(2,2-diethoxyethyl)cyclobutan-1-amine
CID 79547861
(3S)-1-(3-chlorophenyl)-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione
CID 792666
(3R)-1-(3-chlorophenyl)-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione
CID 792662

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-(pyridin-4-ylmethyl)cyclobutan-1-amine?
The IUPAC name of 3-(3-chlorophenyl)-N-(pyridin-4-ylmethyl)cyclobutan-1-amine (CID 43634506) is 3-(3-chlorophenyl)-N-(pyridin-4-ylmethyl)cyclobutan-1-amine.
What is the SMILES notation for 3-(3-chlorophenyl)-N-(pyridin-4-ylmethyl)cyclobutan-1-amine?
The canonical SMILES for 3-(3-chlorophenyl)-N-(pyridin-4-ylmethyl)cyclobutan-1-amine is Clc1cccc(C2CC(NCc3ccncc3)C2)c1.
What is the InChIKey of 3-(3-chlorophenyl)-N-(pyridin-4-ylmethyl)cyclobutan-1-amine?
The InChIKey is ANLYKLSBRXYTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2/c17-15-3-1-2-13(8-15)14-9-16(10-14)19-11-12-4-6-18-7-5-12/h1-8,14,16,19H,9-11H2.
What are the key properties of 3-(3-chlorophenyl)-N-(pyridin-4-ylmethyl)cyclobutan-1-amine?
3-(3-chlorophenyl)-N-(pyridin-4-ylmethyl)cyclobutan-1-amine has a molecular weight of 272.78 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-(pyridin-4-ylmethyl)cyclobutan-1-amine is sourced from PubChem (CID 43634506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).