[5-chloro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methanamine

C15H22ClN3 — CID 63171616

IUPAC[5-chloro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methanamine
SMILESNCc1cc(Cl)ccc1N1CCC(N2CCCC2)C1
InChIInChI=1S/C15H22ClN3/c16-13-3-4-15(12(9-13)10-17)19-8-5-14(11-19)18-6-1-2-7-18/h3-4,9,14H,1-2,5-8,10-11,17H2
InChIKeyJSCUJGQPCQCLKM-UHFFFAOYSA-N
MW279.81 g/mol
LogP2.47
Rot. Bonds3

About [5-chloro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methanamine

[5-chloro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methanamine (PubChem CID 63171616) has the molecular formula C15H22ClN3 and a molecular weight of 279.81 g/mol. Its IUPAC name is [5-chloro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[5-chloro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methanamine
PubChem CID63171616
Molecular FormulaC15H22ClN3
Molecular Weight279.81 g/mol
Exact Mass279.15
IUPAC Name[5-chloro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methanamine
SMILESNCc1cc(Cl)ccc1N1CCC(N2CCCC2)C1
InChIInChI=1S/C15H22ClN3/c16-13-3-4-15(12(9-13)10-17)19-8-5-14(11-19)18-6-1-2-7-18/h3-4,9,14H,1-2,5-8,10-11,17H2
InChIKeyJSCUJGQPCQCLKM-UHFFFAOYSA-N
XLogP2.47
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-chloro-2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanamine
CID 63172008
[5-fluoro-2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanamine
CID 63170949
2-[4-chloro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]ethanamine
CID 114860944
N-[[5-chloro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methyl]ethanamine
CID 114851073
1-[5-chloro-2-(chloromethyl)phenyl]-3-pyrrolidin-1-ylpyrrolidine
CID 114846658
[2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanamine
CID 63171878
[2-(azepan-1-yl)-5-chlorophenyl]methanamine
CID 62493124
[5-chloro-2-(3-methylpiperidin-1-yl)phenyl]methanamine
CID 10586057
[2,3-difluoro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methanamine
CID 107932932
[1-[2-(aminomethyl)-4-chlorophenyl]pyrrolidin-3-yl]methanol
CID 112624254
2-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-chlorophenyl]ethanamine
CID 114861974
[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-bromophenyl]methanamine
CID 114889665

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methanamine?
The IUPAC name of [5-chloro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methanamine (CID 63171616) is [5-chloro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methanamine.
What is the SMILES notation for [5-chloro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methanamine?
The canonical SMILES for [5-chloro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methanamine is NCc1cc(Cl)ccc1N1CCC(N2CCCC2)C1.
What is the InChIKey of [5-chloro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methanamine?
The InChIKey is JSCUJGQPCQCLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3/c16-13-3-4-15(12(9-13)10-17)19-8-5-14(11-19)18-6-1-2-7-18/h3-4,9,14H,1-2,5-8,10-11,17H2.
What are the key properties of [5-chloro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methanamine?
[5-chloro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methanamine has a molecular weight of 279.81 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methanamine is sourced from PubChem (CID 63171616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).