1-(2-chloro-6-pyrrolidin-1-ylphenyl)propan-2-amine

C13H19ClN2 — CID 63787072

IUPAC1-(2-chloro-6-pyrrolidin-1-ylphenyl)propan-2-amine
SMILESCC(N)Cc1c(Cl)cccc1N1CCCC1
InChIInChI=1S/C13H19ClN2/c1-10(15)9-11-12(14)5-4-6-13(11)16-7-2-3-8-16/h4-6,10H,2-3,7-9,15H2,1H3
InChIKeyQKSCGBVALVDPFN-UHFFFAOYSA-N
MW238.76 g/mol
LogP2.83
Rot. Bonds3

About 1-(2-chloro-6-pyrrolidin-1-ylphenyl)propan-2-amine

1-(2-chloro-6-pyrrolidin-1-ylphenyl)propan-2-amine (PubChem CID 63787072) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 1-(2-chloro-6-pyrrolidin-1-ylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-6-pyrrolidin-1-ylphenyl)propan-2-amine
PubChem CID63787072
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name1-(2-chloro-6-pyrrolidin-1-ylphenyl)propan-2-amine
SMILESCC(N)Cc1c(Cl)cccc1N1CCCC1
InChIInChI=1S/C13H19ClN2/c1-10(15)9-11-12(14)5-4-6-13(11)16-7-2-3-8-16/h4-6,10H,2-3,7-9,15H2,1H3
InChIKeyQKSCGBVALVDPFN-UHFFFAOYSA-N
XLogP2.83
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-chloro-6-pyrrolidin-1-ylphenyl)propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-chloro-6-(4-propan-2-ylpiperidin-1-yl)phenyl]propan-2-amine
CID 103503885
1-[2-chloro-6-(3-ethylpiperidin-1-yl)phenyl]propan-2-amine
CID 63787159
[2-(azocan-1-yl)-6-chlorophenyl]methanamine
CID 28965332
1-[2-chloro-6-(1,4-oxazepan-4-yl)phenyl]butan-2-amine
CID 55236034
1-(2-chloro-6-morpholin-4-ylphenyl)butan-2-amine
CID 55234857
O-[(2-chloro-6-pyrrolidin-1-ylphenyl)methyl]hydroxylamine
CID 117111225
N-[[2-(azepan-1-yl)-6-chlorophenyl]methyl]-2-methylpropan-1-amine
CID 63566563
1-[2-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]propan-2-amine
CID 63815206
N-[[2-chloro-6-(4-methylpiperidin-1-yl)phenyl]methyl]propan-2-amine
CID 43280259
2-[2-chloro-6-(4-methylazepan-1-yl)phenyl]ethanamine
CID 63783611
[2-chloro-6-(4,4-dimethylazepan-1-yl)phenyl]methanamine
CID 65283852
1-[2-chloro-3-(2-methylpropyl)phenyl]pyrrolidine
CID 157399894

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-pyrrolidin-1-ylphenyl)propan-2-amine?
The IUPAC name of 1-(2-chloro-6-pyrrolidin-1-ylphenyl)propan-2-amine (CID 63787072) is 1-(2-chloro-6-pyrrolidin-1-ylphenyl)propan-2-amine.
What is the SMILES notation for 1-(2-chloro-6-pyrrolidin-1-ylphenyl)propan-2-amine?
The canonical SMILES for 1-(2-chloro-6-pyrrolidin-1-ylphenyl)propan-2-amine is CC(N)Cc1c(Cl)cccc1N1CCCC1.
What is the InChIKey of 1-(2-chloro-6-pyrrolidin-1-ylphenyl)propan-2-amine?
The InChIKey is QKSCGBVALVDPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-10(15)9-11-12(14)5-4-6-13(11)16-7-2-3-8-16/h4-6,10H,2-3,7-9,15H2,1H3.
What are the key properties of 1-(2-chloro-6-pyrrolidin-1-ylphenyl)propan-2-amine?
1-(2-chloro-6-pyrrolidin-1-ylphenyl)propan-2-amine has a molecular weight of 238.76 g/mol, XLogP of 2.83, 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)propan-2-amine is sourced from PubChem (CID 63787072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).