(3R,4R)-4-(4-chlorophenyl)-1-methylpyrrolidin-3-amine

C11H15ClN2 — CID 124669561

IUPAC(3R,4R)-4-(4-chlorophenyl)-1-methylpyrrolidin-3-amine
SMILESCN1C[C@H](N)[C@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C11H15ClN2/c1-14-6-10(11(13)7-14)8-2-4-9(12)5-3-8/h2-5,10-11H,6-7,13H2,1H3/t10-,11-/m0/s1
InChIKeyLUHOAPONKQKMFS-QWRGUYRKSA-N
MW210.71 g/mol
LogP1.70
Rot. Bonds1

About (3R,4R)-4-(4-chlorophenyl)-1-methylpyrrolidin-3-amine

(3R,4R)-4-(4-chlorophenyl)-1-methylpyrrolidin-3-amine (PubChem CID 124669561) has the molecular formula C11H15ClN2 and a molecular weight of 210.71 g/mol. Its IUPAC name is (3R,4R)-4-(4-chlorophenyl)-1-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R,4R)-4-(4-chlorophenyl)-1-methylpyrrolidin-3-amine
PubChem CID124669561
Molecular FormulaC11H15ClN2
Molecular Weight210.71 g/mol
Exact Mass210.09
IUPAC Name(3R,4R)-4-(4-chlorophenyl)-1-methylpyrrolidin-3-amine
SMILESCN1C[C@H](N)[C@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C11H15ClN2/c1-14-6-10(11(13)7-14)8-2-4-9(12)5-3-8/h2-5,10-11H,6-7,13H2,1H3/t10-,11-/m0/s1
InChIKeyLUHOAPONKQKMFS-QWRGUYRKSA-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

(3S,4R)-4-(4-bromophenyl)-1-methylpyrrolidin-3-amine
CID 69346862
[(3R,4S)-4-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]methanol
CID 124675472
trans-(1R,2S)-2-(4-chlorophenyl)cyclopropan-1-amine
CID 39236206
4-(3-fluoro-4-methoxyphenyl)-1-methylpyrrolidin-3-amine
CID 82391825
(3S,4S)-4-(2-chlorophenyl)-1-methylpyrrolidin-3-amine
CID 96614035
(3R,4S)-4-(2-chlorophenyl)-1-methylpyrrolidin-3-amine
CID 124675407
(2-chlorophenyl)-[(3S,4S)-4-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]methanone
CID 40542647
(3S,4R)-4-(3-fluorophenyl)-1-methylpyrrolidin-3-amine
CID 96623121
cis-(1R,2R)-2-(4-chlorophenyl)cyclopentan-1-amine
CID 11095547
(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidine-3-carboxylic acid
CID 10824789
(3R,4R)-1-methyl-3-phenylpiperidin-4-amine
CID 96750295
(3S,4R)-4-(4-chlorophenyl)pyrrolidin-3-amine
CID 90167505

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(4-chlorophenyl)-1-methylpyrrolidin-3-amine?
The IUPAC name of (3R,4R)-4-(4-chlorophenyl)-1-methylpyrrolidin-3-amine (CID 124669561) is (3R,4R)-4-(4-chlorophenyl)-1-methylpyrrolidin-3-amine.
What is the SMILES notation for (3R,4R)-4-(4-chlorophenyl)-1-methylpyrrolidin-3-amine?
The canonical SMILES for (3R,4R)-4-(4-chlorophenyl)-1-methylpyrrolidin-3-amine is CN1C[C@H](N)[C@H](c2ccc(Cl)cc2)C1.
What is the InChIKey of (3R,4R)-4-(4-chlorophenyl)-1-methylpyrrolidin-3-amine?
The InChIKey is LUHOAPONKQKMFS-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H15ClN2/c1-14-6-10(11(13)7-14)8-2-4-9(12)5-3-8/h2-5,10-11H,6-7,13H2,1H3/t10-,11-/m0/s1.
What are the key properties of (3R,4R)-4-(4-chlorophenyl)-1-methylpyrrolidin-3-amine?
(3R,4R)-4-(4-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 (3R,4R)-4-(4-chlorophenyl)-1-methylpyrrolidin-3-amine is sourced from PubChem (CID 124669561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).