2-[4-chloro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]ethanamine

C16H24ClN3 — CID 114860944

IUPAC2-[4-chloro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]ethanamine
SMILESNCCc1ccc(Cl)cc1N1CCC(N2CCCC2)C1
InChIInChI=1S/C16H24ClN3/c17-14-4-3-13(5-7-18)16(11-14)20-10-6-15(12-20)19-8-1-2-9-19/h3-4,11,15H,1-2,5-10,12,18H2
InChIKeyMCIYLBWZXIOGPV-UHFFFAOYSA-N
MW293.84 g/mol
LogP2.52
Rot. Bonds4

About 2-[4-chloro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]ethanamine

2-[4-chloro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]ethanamine (PubChem CID 114860944) has the molecular formula C16H24ClN3 and a molecular weight of 293.84 g/mol. Its IUPAC name is 2-[4-chloro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-chloro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]ethanamine
PubChem CID114860944
Molecular FormulaC16H24ClN3
Molecular Weight293.84 g/mol
Exact Mass293.17
IUPAC Name2-[4-chloro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]ethanamine
SMILESNCCc1ccc(Cl)cc1N1CCC(N2CCCC2)C1
InChIInChI=1S/C16H24ClN3/c17-14-4-3-13(5-7-18)16(11-14)20-10-6-15(12-20)19-8-1-2-9-19/h3-4,11,15H,1-2,5-10,12,18H2
InChIKeyMCIYLBWZXIOGPV-UHFFFAOYSA-N
XLogP2.52
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-chlorophenyl]ethanamine
CID 114861974
2-[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-4-chlorophenyl]ethanamine
CID 114861027
[4-chloro-2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanamine
CID 63172008
1-[5-chloro-2-(chloromethyl)phenyl]-3-pyrrolidin-1-ylpyrrolidine
CID 114846658
[5-chloro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methanamine
CID 63171616
2-[4-bromo-2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanamine
CID 63783108
2-[4-chloro-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)phenyl]ethanamine
CID 114862082
3-chloro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline
CID 63168533
N-[[5-chloro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methyl]ethanamine
CID 114851073
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-chloroaniline
CID 113315828
2-(2,5-dichlorophenyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79939288
[2,3-difluoro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methanamine
CID 107932932

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]ethanamine?
The IUPAC name of 2-[4-chloro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]ethanamine (CID 114860944) is 2-[4-chloro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]ethanamine.
What is the SMILES notation for 2-[4-chloro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]ethanamine?
The canonical SMILES for 2-[4-chloro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]ethanamine is NCCc1ccc(Cl)cc1N1CCC(N2CCCC2)C1.
What is the InChIKey of 2-[4-chloro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]ethanamine?
The InChIKey is MCIYLBWZXIOGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3/c17-14-4-3-13(5-7-18)16(11-14)20-10-6-15(12-20)19-8-1-2-9-19/h3-4,11,15H,1-2,5-10,12,18H2.
What are the key properties of 2-[4-chloro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]ethanamine?
2-[4-chloro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]ethanamine has a molecular weight of 293.84 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]ethanamine is sourced from PubChem (CID 114860944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).