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

C13H19ClN2 — CID 62909542

IUPAC1-[3-chloro-4-(2-methylpyrrolidin-1-yl)phenyl]ethanamine
SMILESCC(N)c1ccc(N2CCCC2C)c(Cl)c1
InChIInChI=1S/C13H19ClN2/c1-9-4-3-7-16(9)13-6-5-11(10(2)15)8-12(13)14/h5-6,8-10H,3-4,7,15H2,1-2H3
InChIKeyHWUFOXOHKWDBSP-UHFFFAOYSA-N
MW238.76 g/mol
LogP3.35
Rot. Bonds2

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

1-[3-chloro-4-(2-methylpyrrolidin-1-yl)phenyl]ethanamine (PubChem CID 62909542) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 1-[3-chloro-4-(2-methylpyrrolidin-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[3-chloro-4-(2-methylpyrrolidin-1-yl)phenyl]ethanamine
PubChem CID62909542
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name1-[3-chloro-4-(2-methylpyrrolidin-1-yl)phenyl]ethanamine
SMILESCC(N)c1ccc(N2CCCC2C)c(Cl)c1
InChIInChI=1S/C13H19ClN2/c1-9-4-3-7-16(9)13-6-5-11(10(2)15)8-12(13)14/h5-6,8-10H,3-4,7,15H2,1-2H3
InChIKeyHWUFOXOHKWDBSP-UHFFFAOYSA-N
XLogP3.35
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[3-chloro-4-(2-methylpiperidin-1-yl)phenyl]ethanamine
CID 55190288
(1R)-1-[3-chloro-4-(2-cyclopentylpyrrolidin-1-yl)phenyl]ethanamine
CID 63368798
(1R)-1-[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-chlorophenyl]ethanamine
CID 65321011
1-[3-chloro-4-(4-methylazepan-1-yl)phenyl]ethanamine
CID 63623731
(1R)-1-[3-chloro-4-(3-methylpiperidin-1-yl)phenyl]ethanamine
CID 78935727
(1S)-1-[3-chloro-4-(2-ethylazepan-1-yl)phenyl]ethanamine
CID 104690209
(1S)-1-[4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-chlorophenyl]ethanamine
CID 82751036
[1-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]azepan-2-yl]methanol
CID 104891529
1-[3-chloro-4-(3,4-dimethylpyrrolidin-1-yl)phenyl]ethanamine
CID 79188821
(1S)-1-[4-(2-methylpyrrolidin-1-yl)phenyl]ethanamine
CID 63369438
(1R)-1-[3-chloro-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine
CID 63532975
3-chloro-4-[(2S)-2-methylpiperidin-1-yl]aniline
CID 40787638

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(2-methylpyrrolidin-1-yl)phenyl]ethanamine?
The IUPAC name of 1-[3-chloro-4-(2-methylpyrrolidin-1-yl)phenyl]ethanamine (CID 62909542) is 1-[3-chloro-4-(2-methylpyrrolidin-1-yl)phenyl]ethanamine.
What is the SMILES notation for 1-[3-chloro-4-(2-methylpyrrolidin-1-yl)phenyl]ethanamine?
The canonical SMILES for 1-[3-chloro-4-(2-methylpyrrolidin-1-yl)phenyl]ethanamine is CC(N)c1ccc(N2CCCC2C)c(Cl)c1.
What is the InChIKey of 1-[3-chloro-4-(2-methylpyrrolidin-1-yl)phenyl]ethanamine?
The InChIKey is HWUFOXOHKWDBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-9-4-3-7-16(9)13-6-5-11(10(2)15)8-12(13)14/h5-6,8-10H,3-4,7,15H2,1-2H3.
What are the key properties of 1-[3-chloro-4-(2-methylpyrrolidin-1-yl)phenyl]ethanamine?
1-[3-chloro-4-(2-methylpyrrolidin-1-yl)phenyl]ethanamine has a molecular weight of 238.76 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(2-methylpyrrolidin-1-yl)phenyl]ethanamine is sourced from PubChem (CID 62909542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).