(3S,4R)-4-(4-chlorophenyl)pyrrolidin-3-amine

C10H13ClN2 — CID 90167505

IUPAC(3S,4R)-4-(4-chlorophenyl)pyrrolidin-3-amine
SMILESN[C@@H]1CNC[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C10H13ClN2/c11-8-3-1-7(2-4-8)9-5-13-6-10(9)12/h1-4,9-10,13H,5-6,12H2/t9-,10+/m0/s1
InChIKeyWZZKKLWADRBBJA-VHSXEESVSA-N
MW196.68 g/mol
LogP1.35
Rot. Bonds1

About (3S,4R)-4-(4-chlorophenyl)pyrrolidin-3-amine

(3S,4R)-4-(4-chlorophenyl)pyrrolidin-3-amine (PubChem CID 90167505) has the molecular formula C10H13ClN2 and a molecular weight of 196.68 g/mol. Its IUPAC name is (3S,4R)-4-(4-chlorophenyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4R)-4-(4-chlorophenyl)pyrrolidin-3-amine
PubChem CID90167505
Molecular FormulaC10H13ClN2
Molecular Weight196.68 g/mol
Exact Mass196.08
IUPAC Name(3S,4R)-4-(4-chlorophenyl)pyrrolidin-3-amine
SMILESN[C@@H]1CNC[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C10H13ClN2/c11-8-3-1-7(2-4-8)9-5-13-6-10(9)12/h1-4,9-10,13H,5-6,12H2/t9-,10+/m0/s1
InChIKeyWZZKKLWADRBBJA-VHSXEESVSA-N
XLogP1.35
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4S)-4-(4-chlorophenyl)pyrrolidin-3-ol
CID 125117368
(3S,4R)-4-(4-chlorophenyl)pyrrolidine-3-carboxamide
CID 68794624
trans-(1R,2S)-2-(4-chlorophenyl)cyclopropan-1-amine
CID 39236206
(3R,4R)-4-pyridin-4-ylpyrrolidin-3-amine
CID 129493482
(3R,4R)-4-[4-(dimethylamino)phenyl]pyrrolidin-3-amine
CID 129407390
(3S,4R)-3-(4-chlorophenyl)-4-ethylpyrrolidine
CID 125453406
(3R,4S)-4-(5-chloro-2-fluorophenyl)pyrrolidin-3-amine
CID 70647904
carbamic acid;(3S,4R)-4-phenylpyrrolidin-3-amine
CID 161253408
3,4-bis(4-chlorophenyl)piperidine
CID 79434307
(3R,4R)-4-(4-ethoxyphenyl)pyrrolidin-3-amine
CID 129359671
cis-(1R,2R)-2-(4-chlorophenyl)cyclopentan-1-amine
CID 11095547
4-(3-fluoro-4-methoxyphenyl)pyrrolidin-3-amine
CID 82612413

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(4-chlorophenyl)pyrrolidin-3-amine?
The IUPAC name of (3S,4R)-4-(4-chlorophenyl)pyrrolidin-3-amine (CID 90167505) is (3S,4R)-4-(4-chlorophenyl)pyrrolidin-3-amine.
What is the SMILES notation for (3S,4R)-4-(4-chlorophenyl)pyrrolidin-3-amine?
The canonical SMILES for (3S,4R)-4-(4-chlorophenyl)pyrrolidin-3-amine is N[C@@H]1CNC[C@H]1c1ccc(Cl)cc1.
What is the InChIKey of (3S,4R)-4-(4-chlorophenyl)pyrrolidin-3-amine?
The InChIKey is WZZKKLWADRBBJA-VHSXEESVSA-N. The full InChI is InChI=1S/C10H13ClN2/c11-8-3-1-7(2-4-8)9-5-13-6-10(9)12/h1-4,9-10,13H,5-6,12H2/t9-,10+/m0/s1.
What are the key properties of (3S,4R)-4-(4-chlorophenyl)pyrrolidin-3-amine?
(3S,4R)-4-(4-chlorophenyl)pyrrolidin-3-amine has a molecular weight of 196.68 g/mol, XLogP of 1.35, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-(4-chlorophenyl)pyrrolidin-3-amine is sourced from PubChem (CID 90167505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).