N-[(1S)-1-(4-chlorophenyl)ethyl]-1-methylpyrrolidin-3-amine

C13H19ClN2 — CID 81352092

IUPACN-[(1S)-1-(4-chlorophenyl)ethyl]-1-methylpyrrolidin-3-amine
SMILESC[C@H](NC1CCN(C)C1)c1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2/c1-10(11-3-5-12(14)6-4-11)15-13-7-8-16(2)9-13/h3-6,10,13,15H,7-9H2,1-2H3/t10-,13?/m0/s1
InChIKeyFQUIYUBBRGYHJL-NKUHCKNESA-N
MW238.76 g/mol
LogP2.69
Rot. Bonds3

About N-[(1S)-1-(4-chlorophenyl)ethyl]-1-methylpyrrolidin-3-amine

N-[(1S)-1-(4-chlorophenyl)ethyl]-1-methylpyrrolidin-3-amine (PubChem CID 81352092) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is N-[(1S)-1-(4-chlorophenyl)ethyl]-1-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(1S)-1-(4-chlorophenyl)ethyl]-1-methylpyrrolidin-3-amine
PubChem CID81352092
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC NameN-[(1S)-1-(4-chlorophenyl)ethyl]-1-methylpyrrolidin-3-amine
SMILESC[C@H](NC1CCN(C)C1)c1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2/c1-10(11-3-5-12(14)6-4-11)15-13-7-8-16(2)9-13/h3-6,10,13,15H,7-9H2,1-2H3/t10-,13?/m0/s1
InChIKeyFQUIYUBBRGYHJL-NKUHCKNESA-N
XLogP2.69
TPSA15.27 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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-1-methylpiperidin-4-amine
CID 43181057
1-methyl-N-[1-(4-methylphenyl)ethyl]pyrrolidin-3-amine
CID 61461431
(3S)-1-methyl-N-(1-phenylethyl)pyrrolidin-3-amine
CID 134939795
N-[1-(4-methoxyphenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 54949814
N-[1-(4-ethylphenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 54949870
1-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]pyrrolidin-3-amine
CID 61462428
1-tert-butyl-N-[1-(4-chlorophenyl)ethyl]piperidin-4-amine
CID 60931192
N-[1-(3,4-dimethylphenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 54949868
1-[4-[[(1S)-1-(4-chlorophenyl)ethyl]amino]piperidin-1-yl]ethanone
CID 81352402
N-[1-(2,5-difluorophenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 54949716
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 82994281
1-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]piperidin-4-amine
CID 81349628

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-1-methylpyrrolidin-3-amine?
The IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-1-methylpyrrolidin-3-amine (CID 81352092) is N-[(1S)-1-(4-chlorophenyl)ethyl]-1-methylpyrrolidin-3-amine.
What is the SMILES notation for N-[(1S)-1-(4-chlorophenyl)ethyl]-1-methylpyrrolidin-3-amine?
The canonical SMILES for N-[(1S)-1-(4-chlorophenyl)ethyl]-1-methylpyrrolidin-3-amine is C[C@H](NC1CCN(C)C1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1S)-1-(4-chlorophenyl)ethyl]-1-methylpyrrolidin-3-amine?
The InChIKey is FQUIYUBBRGYHJL-NKUHCKNESA-N. The full InChI is InChI=1S/C13H19ClN2/c1-10(11-3-5-12(14)6-4-11)15-13-7-8-16(2)9-13/h3-6,10,13,15H,7-9H2,1-2H3/t10-,13?/m0/s1.
What are the key properties of N-[(1S)-1-(4-chlorophenyl)ethyl]-1-methylpyrrolidin-3-amine?
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-methylpyrrolidin-3-amine has a molecular weight of 238.76 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-chlorophenyl)ethyl]-1-methylpyrrolidin-3-amine is sourced from PubChem (CID 81352092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).