[1-(2-chloro-6-pyrrolidin-1-ylphenyl)cyclopropyl]methanamine

C14H19ClN2 — CID 117112223

IUPAC[1-(2-chloro-6-pyrrolidin-1-ylphenyl)cyclopropyl]methanamine
SMILESNCC1(c2c(Cl)cccc2N2CCCC2)CC1
InChIInChI=1S/C14H19ClN2/c15-11-4-3-5-12(17-8-1-2-9-17)13(11)14(10-16)6-7-14/h3-5H,1-2,6-10,16H2
InChIKeyPMSJOAZFRZMJIM-UHFFFAOYSA-N
MW250.77 g/mol
LogP2.93
Rot. Bonds3

About [1-(2-chloro-6-pyrrolidin-1-ylphenyl)cyclopropyl]methanamine

[1-(2-chloro-6-pyrrolidin-1-ylphenyl)cyclopropyl]methanamine (PubChem CID 117112223) has the molecular formula C14H19ClN2 and a molecular weight of 250.77 g/mol. Its IUPAC name is [1-(2-chloro-6-pyrrolidin-1-ylphenyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(2-chloro-6-pyrrolidin-1-ylphenyl)cyclopropyl]methanamine
PubChem CID117112223
Molecular FormulaC14H19ClN2
Molecular Weight250.77 g/mol
Exact Mass250.12
IUPAC Name[1-(2-chloro-6-pyrrolidin-1-ylphenyl)cyclopropyl]methanamine
SMILESNCC1(c2c(Cl)cccc2N2CCCC2)CC1
InChIInChI=1S/C14H19ClN2/c15-11-4-3-5-12(17-8-1-2-9-17)13(11)14(10-16)6-7-14/h3-5H,1-2,6-10,16H2
InChIKeyPMSJOAZFRZMJIM-UHFFFAOYSA-N
XLogP2.93
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2-pyrrolidin-1-ylphenyl)cyclopropyl]methanamine
CID 82614208
[1-(2,6-dichlorophenyl)cyclobutyl]methanamine;hydrochloride
CID 86201221
[2-(azocan-1-yl)-6-chlorophenyl]methanamine
CID 28965332
[1-(3-chloro-4-pyrrolidin-1-ylphenyl)cyclobutyl]methanamine
CID 117416314
[1-(2-piperidin-1-ylphenyl)cyclobutyl]methanamine
CID 117363360
[1-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]cyclopentyl]methanamine
CID 62262521
[2-chloro-6-(4,4-dimethylazepan-1-yl)phenyl]methanamine
CID 65283852
1-[3-chloro-2-(1-isocyanatocyclopentyl)phenyl]pyrrolidine
CID 117112705
2-[1-(aminomethyl)cyclopentyl]-3-chloro-N,N-dimethylaniline
CID 117384952
[1-(2-chloro-6-methylsulfanylphenyl)cyclohexyl]methanamine
CID 117428108
O-[(2-chloro-6-pyrrolidin-1-ylphenyl)methyl]hydroxylamine
CID 117111225
[1-[2-chloro-6-(methoxymethyl)phenyl]cyclohexyl]methanamine
CID 117423394

Frequently Asked Questions

What is the IUPAC name of [1-(2-chloro-6-pyrrolidin-1-ylphenyl)cyclopropyl]methanamine?
The IUPAC name of [1-(2-chloro-6-pyrrolidin-1-ylphenyl)cyclopropyl]methanamine (CID 117112223) is [1-(2-chloro-6-pyrrolidin-1-ylphenyl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(2-chloro-6-pyrrolidin-1-ylphenyl)cyclopropyl]methanamine?
The canonical SMILES for [1-(2-chloro-6-pyrrolidin-1-ylphenyl)cyclopropyl]methanamine is NCC1(c2c(Cl)cccc2N2CCCC2)CC1.
What is the InChIKey of [1-(2-chloro-6-pyrrolidin-1-ylphenyl)cyclopropyl]methanamine?
The InChIKey is PMSJOAZFRZMJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2/c15-11-4-3-5-12(17-8-1-2-9-17)13(11)14(10-16)6-7-14/h3-5H,1-2,6-10,16H2.
What are the key properties of [1-(2-chloro-6-pyrrolidin-1-ylphenyl)cyclopropyl]methanamine?
[1-(2-chloro-6-pyrrolidin-1-ylphenyl)cyclopropyl]methanamine has a molecular weight of 250.77 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chloro-6-pyrrolidin-1-ylphenyl)cyclopropyl]methanamine is sourced from PubChem (CID 117112223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).