(3R,4S)-3-[(3-chlorophenyl)methyl]-4-cyclopropylpyrrolidine

C14H18ClN — CID 124677110

IUPAC(3R,4S)-3-[(3-chlorophenyl)methyl]-4-cyclopropylpyrrolidine
SMILESClc1cccc(C[C@H]2CNC[C@H]2C2CC2)c1
InChIInChI=1S/C14H18ClN/c15-13-3-1-2-10(7-13)6-12-8-16-9-14(12)11-4-5-11/h1-3,7,11-12,14,16H,4-6,8-9H2/t12-,14-/m0/s1
InChIKeyYOAJKOJXFJFMLX-JSGCOSHPSA-N
MW235.76 g/mol
LogP3.13
Rot. Bonds3

About (3R,4S)-3-[(3-chlorophenyl)methyl]-4-cyclopropylpyrrolidine

(3R,4S)-3-[(3-chlorophenyl)methyl]-4-cyclopropylpyrrolidine (PubChem CID 124677110) has the molecular formula C14H18ClN and a molecular weight of 235.76 g/mol. Its IUPAC name is (3R,4S)-3-[(3-chlorophenyl)methyl]-4-cyclopropylpyrrolidine.

Molecular Properties

Compound Name(3R,4S)-3-[(3-chlorophenyl)methyl]-4-cyclopropylpyrrolidine
PubChem CID124677110
Molecular FormulaC14H18ClN
Molecular Weight235.76 g/mol
Exact Mass235.11
IUPAC Name(3R,4S)-3-[(3-chlorophenyl)methyl]-4-cyclopropylpyrrolidine
SMILESClc1cccc(C[C@H]2CNC[C@H]2C2CC2)c1
InChIInChI=1S/C14H18ClN/c15-13-3-1-2-10(7-13)6-12-8-16-9-14(12)11-4-5-11/h1-3,7,11-12,14,16H,4-6,8-9H2/t12-,14-/m0/s1
InChIKeyYOAJKOJXFJFMLX-JSGCOSHPSA-N
XLogP3.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.76
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 84736905
1-[(2-bromocyclohexyl)methyl]-3-chlorobenzene
CID 63471819
4-[[(3-chlorophenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962488
1-chloro-3-[(2-chloro-5-ethylcyclohexyl)methyl]benzene
CID 63461867
(2S)-2-[(3-chlorophenyl)methyl]pyrrolidine
CID 7022802
1-[4-tert-butyl-2-[(3-chlorophenyl)methyl]cyclohexyl]-N-methylmethanamine
CID 81025461
N-[[2-[(3-chlorophenyl)methyl]-4-ethylcyclohexyl]methyl]ethanamine
CID 81029934
2-[(3-chlorophenyl)methyl]-4-propylcyclohexan-1-amine
CID 63403544
(2S)-2-[(3-chlorophenyl)methyl]pyrrolidin-1-ium
CID 7022801
3-[(3-chlorophenyl)methyl]-1-methylpiperidin-4-amine
CID 118991788
4-[(3-chlorophenyl)methyl]-3,3-difluoropiperidine
CID 84705382
2-(3-chlorophenyl)-1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanone
CID 66213234

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-[(3-chlorophenyl)methyl]-4-cyclopropylpyrrolidine?
The IUPAC name of (3R,4S)-3-[(3-chlorophenyl)methyl]-4-cyclopropylpyrrolidine (CID 124677110) is (3R,4S)-3-[(3-chlorophenyl)methyl]-4-cyclopropylpyrrolidine.
What is the SMILES notation for (3R,4S)-3-[(3-chlorophenyl)methyl]-4-cyclopropylpyrrolidine?
The canonical SMILES for (3R,4S)-3-[(3-chlorophenyl)methyl]-4-cyclopropylpyrrolidine is Clc1cccc(C[C@H]2CNC[C@H]2C2CC2)c1.
What is the InChIKey of (3R,4S)-3-[(3-chlorophenyl)methyl]-4-cyclopropylpyrrolidine?
The InChIKey is YOAJKOJXFJFMLX-JSGCOSHPSA-N. The full InChI is InChI=1S/C14H18ClN/c15-13-3-1-2-10(7-13)6-12-8-16-9-14(12)11-4-5-11/h1-3,7,11-12,14,16H,4-6,8-9H2/t12-,14-/m0/s1.
What are the key properties of (3R,4S)-3-[(3-chlorophenyl)methyl]-4-cyclopropylpyrrolidine?
(3R,4S)-3-[(3-chlorophenyl)methyl]-4-cyclopropylpyrrolidine has a molecular weight of 235.76 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-[(3-chlorophenyl)methyl]-4-cyclopropylpyrrolidine is sourced from PubChem (CID 124677110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).