(3S,4R)-1-(2,2-dimethylpropyl)-4-phenylpyrrolidin-3-amine;hydrochloride

C15H25ClN2 — CID 120769959

IUPAC(3S,4R)-1-(2,2-dimethylpropyl)-4-phenylpyrrolidin-3-amine;hydrochloride
SMILESCC(C)(C)CN1C[C@@H](N)[C@H](c2ccccc2)C1.Cl
InChIInChI=1S/C15H24N2.ClH/c1-15(2,3)11-17-9-13(14(16)10-17)12-7-5-4-6-8-12;/h4-8,13-14H,9-11,16H2,1-3H3;1H/t13-,14+;/m0./s1
InChIKeyGEOFLFVHJWUQPE-LMRHVHIWSA-N
MW268.83 g/mol
LogP2.88
Rot. Bonds2

About (3S,4R)-1-(2,2-dimethylpropyl)-4-phenylpyrrolidin-3-amine;hydrochloride

(3S,4R)-1-(2,2-dimethylpropyl)-4-phenylpyrrolidin-3-amine;hydrochloride (PubChem CID 120769959) has the molecular formula C15H25ClN2 and a molecular weight of 268.83 g/mol. Its IUPAC name is (3S,4R)-1-(2,2-dimethylpropyl)-4-phenylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3S,4R)-1-(2,2-dimethylpropyl)-4-phenylpyrrolidin-3-amine;hydrochloride
PubChem CID120769959
Molecular FormulaC15H25ClN2
Molecular Weight268.83 g/mol
Exact Mass268.17
IUPAC Name(3S,4R)-1-(2,2-dimethylpropyl)-4-phenylpyrrolidin-3-amine;hydrochloride
SMILESCC(C)(C)CN1C[C@@H](N)[C@H](c2ccccc2)C1.Cl
InChIInChI=1S/C15H24N2.ClH/c1-15(2,3)11-17-9-13(14(16)10-17)12-7-5-4-6-8-12;/h4-8,13-14H,9-11,16H2,1-3H3;1H/t13-,14+;/m0./s1
InChIKeyGEOFLFVHJWUQPE-LMRHVHIWSA-N
XLogP2.88
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.83
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-methylpropan-2-ol
CID 120761553
(3R,4S)-1-(2-fluoroethyl)-4-phenylpyrrolidin-3-amine;hydrochloride
CID 122424566
(3R,4S)-1-(2-fluoroethyl)-4-phenylpyrrolidin-3-amine
CID 122424567
(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-amine
CID 89188602
2-(3-amino-4-phenylpyrrolidin-1-yl)acetonitrile
CID 118128434
(3S,4R)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120770225
methyl 4-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2,2-dimethylbutanoate;hydrochloride
CID 120846804
(3S,4R)-1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120770420
1-[(2S)-2-methoxypropyl]-4-phenylpyrrolidin-3-amine
CID 89188709
(3S,4R)-1-[(1-methylcyclobutyl)methyl]-4-phenylpyrrolidin-3-amine
CID 120846833
(3R,4S)-1-(3-methoxypropyl)-4-phenylpyrrolidin-3-amine
CID 86283678
(3S,4R)-1-[(2S)-2-methoxypropyl]-4-phenylpyrrolidin-3-amine
CID 89188707

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-(2,2-dimethylpropyl)-4-phenylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of (3S,4R)-1-(2,2-dimethylpropyl)-4-phenylpyrrolidin-3-amine;hydrochloride (CID 120769959) is (3S,4R)-1-(2,2-dimethylpropyl)-4-phenylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for (3S,4R)-1-(2,2-dimethylpropyl)-4-phenylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for (3S,4R)-1-(2,2-dimethylpropyl)-4-phenylpyrrolidin-3-amine;hydrochloride is CC(C)(C)CN1C[C@@H](N)[C@H](c2ccccc2)C1.Cl.
What is the InChIKey of (3S,4R)-1-(2,2-dimethylpropyl)-4-phenylpyrrolidin-3-amine;hydrochloride?
The InChIKey is GEOFLFVHJWUQPE-LMRHVHIWSA-N. The full InChI is InChI=1S/C15H24N2.ClH/c1-15(2,3)11-17-9-13(14(16)10-17)12-7-5-4-6-8-12;/h4-8,13-14H,9-11,16H2,1-3H3;1H/t13-,14+;/m0./s1.
What are the key properties of (3S,4R)-1-(2,2-dimethylpropyl)-4-phenylpyrrolidin-3-amine;hydrochloride?
(3S,4R)-1-(2,2-dimethylpropyl)-4-phenylpyrrolidin-3-amine;hydrochloride has a molecular weight of 268.83 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-(2,2-dimethylpropyl)-4-phenylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 120769959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).