[1-(3-chloro-4-pyrrolidin-1-ylphenyl)cyclobutyl]methanamine

C15H21ClN2 — CID 117416314

IUPAC[1-(3-chloro-4-pyrrolidin-1-ylphenyl)cyclobutyl]methanamine
SMILESNCC1(c2ccc(N3CCCC3)c(Cl)c2)CCC1
InChIInChI=1S/C15H21ClN2/c16-13-10-12(15(11-17)6-3-7-15)4-5-14(13)18-8-1-2-9-18/h4-5,10H,1-3,6-9,11,17H2
InChIKeyMFPKNACZZBKLNR-UHFFFAOYSA-N
MW264.80 g/mol
LogP3.32
Rot. Bonds3

About [1-(3-chloro-4-pyrrolidin-1-ylphenyl)cyclobutyl]methanamine

[1-(3-chloro-4-pyrrolidin-1-ylphenyl)cyclobutyl]methanamine (PubChem CID 117416314) has the molecular formula C15H21ClN2 and a molecular weight of 264.80 g/mol. Its IUPAC name is [1-(3-chloro-4-pyrrolidin-1-ylphenyl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(3-chloro-4-pyrrolidin-1-ylphenyl)cyclobutyl]methanamine
PubChem CID117416314
Molecular FormulaC15H21ClN2
Molecular Weight264.80 g/mol
Exact Mass264.14
IUPAC Name[1-(3-chloro-4-pyrrolidin-1-ylphenyl)cyclobutyl]methanamine
SMILESNCC1(c2ccc(N3CCCC3)c(Cl)c2)CCC1
InChIInChI=1S/C15H21ClN2/c16-13-10-12(15(11-17)6-3-7-15)4-5-14(13)18-8-1-2-9-18/h4-5,10H,1-3,6-9,11,17H2
InChIKeyMFPKNACZZBKLNR-UHFFFAOYSA-N
XLogP3.32
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.80
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3-chloro-4-fluorophenyl)cyclobutyl]methanamine
CID 117304698
1-(3-chloro-4-pyrrolidin-1-ylphenyl)cyclohexan-1-amine
CID 117447117
[1-(3-chloro-4-methylphenyl)cyclohexyl]methanamine
CID 83824553
[1-[3-chloro-4-(1,2,4-triazol-1-yl)phenyl]cyclopentyl]methanamine
CID 117443432
[1-(2-chloro-6-pyrrolidin-1-ylphenyl)cyclopropyl]methanamine
CID 117112223
[1-(4-pyrrolidin-1-ylphenyl)cyclohexyl]methanamine
CID 117400102
[1-(1,4-dimethyl-2,3-dihydroquinoxalin-6-yl)cyclopentyl]methanamine
CID 117403045
[1-(3-chloro-4-pentan-3-ylphenyl)cyclobutyl]methanamine
CID 117418946
1-(3-chloro-4-piperidin-1-ylphenyl)cyclobutane-1-carboxylic acid
CID 117474090
5-[1-(aminomethyl)cyclopentyl]-2-chlorophenol
CID 84790699
[1-(1,4-dimethyl-2,3-dihydroquinoxalin-6-yl)cyclohexyl]methanamine
CID 117436747
1-(3-chloro-4-morpholin-4-ylphenyl)cyclobutan-1-amine
CID 117420865

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-4-pyrrolidin-1-ylphenyl)cyclobutyl]methanamine?
The IUPAC name of [1-(3-chloro-4-pyrrolidin-1-ylphenyl)cyclobutyl]methanamine (CID 117416314) is [1-(3-chloro-4-pyrrolidin-1-ylphenyl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(3-chloro-4-pyrrolidin-1-ylphenyl)cyclobutyl]methanamine?
The canonical SMILES for [1-(3-chloro-4-pyrrolidin-1-ylphenyl)cyclobutyl]methanamine is NCC1(c2ccc(N3CCCC3)c(Cl)c2)CCC1.
What is the InChIKey of [1-(3-chloro-4-pyrrolidin-1-ylphenyl)cyclobutyl]methanamine?
The InChIKey is MFPKNACZZBKLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2/c16-13-10-12(15(11-17)6-3-7-15)4-5-14(13)18-8-1-2-9-18/h4-5,10H,1-3,6-9,11,17H2.
What are the key properties of [1-(3-chloro-4-pyrrolidin-1-ylphenyl)cyclobutyl]methanamine?
[1-(3-chloro-4-pyrrolidin-1-ylphenyl)cyclobutyl]methanamine has a molecular weight of 264.80 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-4-pyrrolidin-1-ylphenyl)cyclobutyl]methanamine is sourced from PubChem (CID 117416314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).