(3S,4S)-4-(2-chlorophenyl)-1-methylpyrrolidin-3-amine

C11H15ClN2 — CID 96614035

IUPAC(3S,4S)-4-(2-chlorophenyl)-1-methylpyrrolidin-3-amine
SMILESCN1C[C@@H](N)[C@@H](c2ccccc2Cl)C1
InChIInChI=1S/C11H15ClN2/c1-14-6-9(11(13)7-14)8-4-2-3-5-10(8)12/h2-5,9,11H,6-7,13H2,1H3/t9-,11-/m1/s1
InChIKeyHHFMGYILVGZFJM-MWLCHTKSSA-N
MW210.71 g/mol
LogP1.70
Rot. Bonds1

About (3S,4S)-4-(2-chlorophenyl)-1-methylpyrrolidin-3-amine

(3S,4S)-4-(2-chlorophenyl)-1-methylpyrrolidin-3-amine (PubChem CID 96614035) has the molecular formula C11H15ClN2 and a molecular weight of 210.71 g/mol. Its IUPAC name is (3S,4S)-4-(2-chlorophenyl)-1-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4S)-4-(2-chlorophenyl)-1-methylpyrrolidin-3-amine
PubChem CID96614035
Molecular FormulaC11H15ClN2
Molecular Weight210.71 g/mol
Exact Mass210.09
IUPAC Name(3S,4S)-4-(2-chlorophenyl)-1-methylpyrrolidin-3-amine
SMILESCN1C[C@@H](N)[C@@H](c2ccccc2Cl)C1
InChIInChI=1S/C11H15ClN2/c1-14-6-9(11(13)7-14)8-4-2-3-5-10(8)12/h2-5,9,11H,6-7,13H2,1H3/t9-,11-/m1/s1
InChIKeyHHFMGYILVGZFJM-MWLCHTKSSA-N
XLogP1.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.71
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4S)-4-(2-chlorophenyl)-1-methylpyrrolidin-3-amine
CID 124675407
3-(2-chlorophenyl)-1-methylazetidine
CID 167307075
4-(2-methoxyphenyl)-1-methylpyrrolidin-3-amine
CID 82395877
1-methyl-4-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 118271900
cis-(1R,2R)-2-(2-chlorophenyl)cyclopropan-1-amine
CID 39236190
(3R,4R)-4-(4-chlorophenyl)-1-methylpyrrolidin-3-amine
CID 124669561
cis-(1R,2R)-2-(2-chlorophenyl)cyclopentan-1-amine
CID 94869146
[4-(2-bromophenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 82625445
4-(2-chlorophenyl)-1,1-dioxothian-3-amine
CID 84806276
(3S,4R)-4-(4-bromophenyl)-1-methylpyrrolidin-3-amine
CID 69346862
3-(2-chlorophenyl)-1-propan-2-ylazetidine
CID 167307066
4-(1,2-dimethylindol-3-yl)-1-methylpyrrolidin-3-amine
CID 82386117

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(2-chlorophenyl)-1-methylpyrrolidin-3-amine?
The IUPAC name of (3S,4S)-4-(2-chlorophenyl)-1-methylpyrrolidin-3-amine (CID 96614035) is (3S,4S)-4-(2-chlorophenyl)-1-methylpyrrolidin-3-amine.
What is the SMILES notation for (3S,4S)-4-(2-chlorophenyl)-1-methylpyrrolidin-3-amine?
The canonical SMILES for (3S,4S)-4-(2-chlorophenyl)-1-methylpyrrolidin-3-amine is CN1C[C@@H](N)[C@@H](c2ccccc2Cl)C1.
What is the InChIKey of (3S,4S)-4-(2-chlorophenyl)-1-methylpyrrolidin-3-amine?
The InChIKey is HHFMGYILVGZFJM-MWLCHTKSSA-N. The full InChI is InChI=1S/C11H15ClN2/c1-14-6-9(11(13)7-14)8-4-2-3-5-10(8)12/h2-5,9,11H,6-7,13H2,1H3/t9-,11-/m1/s1.
What are the key properties of (3S,4S)-4-(2-chlorophenyl)-1-methylpyrrolidin-3-amine?
(3S,4S)-4-(2-chlorophenyl)-1-methylpyrrolidin-3-amine has a molecular weight of 210.71 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(2-chlorophenyl)-1-methylpyrrolidin-3-amine is sourced from PubChem (CID 96614035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).