(3S,4R)-4-phenyl-1-(1-phenylpropyl)pyrrolidin-3-amine;hydrochloride

C19H25ClN2 — CID 120761196

IUPAC(3S,4R)-4-phenyl-1-(1-phenylpropyl)pyrrolidin-3-amine;hydrochloride
SMILESCCC(c1ccccc1)N1C[C@@H](N)[C@H](c2ccccc2)C1.Cl
InChIInChI=1S/C19H24N2.ClH/c1-2-19(16-11-7-4-8-12-16)21-13-17(18(20)14-21)15-9-5-3-6-10-15;/h3-12,17-19H,2,13-14,20H2,1H3;1H/t17-,18+,19?;/m0./s1
InChIKeyHAISTTSXWMZKIV-DVPITABRSA-N
MW316.88 g/mol
LogP3.99
Rot. Bonds4

About (3S,4R)-4-phenyl-1-(1-phenylpropyl)pyrrolidin-3-amine;hydrochloride

(3S,4R)-4-phenyl-1-(1-phenylpropyl)pyrrolidin-3-amine;hydrochloride (PubChem CID 120761196) has the molecular formula C19H25ClN2 and a molecular weight of 316.88 g/mol. Its IUPAC name is (3S,4R)-4-phenyl-1-(1-phenylpropyl)pyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3S,4R)-4-phenyl-1-(1-phenylpropyl)pyrrolidin-3-amine;hydrochloride
PubChem CID120761196
Molecular FormulaC19H25ClN2
Molecular Weight316.88 g/mol
Exact Mass316.17
IUPAC Name(3S,4R)-4-phenyl-1-(1-phenylpropyl)pyrrolidin-3-amine;hydrochloride
SMILESCCC(c1ccccc1)N1C[C@@H](N)[C@H](c2ccccc2)C1.Cl
InChIInChI=1S/C19H24N2.ClH/c1-2-19(16-11-7-4-8-12-16)21-13-17(18(20)14-21)15-9-5-3-6-10-15;/h3-12,17-19H,2,13-14,20H2,1H3;1H/t17-,18+,19?;/m0./s1
InChIKeyHAISTTSXWMZKIV-DVPITABRSA-N
XLogP3.99
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.88
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4S)-1-(1,3-difluoropropan-2-yl)-4-phenylpyrrolidin-3-amine
CID 118128593
3-methyl-1-(1-phenylpropyl)piperidin-4-amine
CID 55058050
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-ethylbutan-1-one;hydrochloride
CID 120749321
(3S,4R)-1-(2,2-dimethylpropyl)-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120769959
(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-amine
CID 89188602
(3R,4S)-1-(2-fluoroethyl)-4-phenylpyrrolidin-3-amine;hydrochloride
CID 122424566
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N,N-diethylpropanamide
CID 120760495
1-[(1R)-1-phenylpropyl]azepane
CID 97315480
1-[(1R)-1-phenylpropyl]piperazine;dihydrochloride
CID 171295514
(3S,4R)-4-phenyl-1-(2-propan-2-ylsulfonylethyl)pyrrolidin-3-amine;hydrochloride
CID 120760546
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-3-methyl-2-phenylbutan-1-one;hydrochloride
CID 120747473
1-[1-(1-phenylpropyl)piperidin-3-yl]ethanamine;hydrochloride
CID 119925499

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-phenyl-1-(1-phenylpropyl)pyrrolidin-3-amine;hydrochloride?
The IUPAC name of (3S,4R)-4-phenyl-1-(1-phenylpropyl)pyrrolidin-3-amine;hydrochloride (CID 120761196) is (3S,4R)-4-phenyl-1-(1-phenylpropyl)pyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for (3S,4R)-4-phenyl-1-(1-phenylpropyl)pyrrolidin-3-amine;hydrochloride?
The canonical SMILES for (3S,4R)-4-phenyl-1-(1-phenylpropyl)pyrrolidin-3-amine;hydrochloride is CCC(c1ccccc1)N1C[C@@H](N)[C@H](c2ccccc2)C1.Cl.
What is the InChIKey of (3S,4R)-4-phenyl-1-(1-phenylpropyl)pyrrolidin-3-amine;hydrochloride?
The InChIKey is HAISTTSXWMZKIV-DVPITABRSA-N. The full InChI is InChI=1S/C19H24N2.ClH/c1-2-19(16-11-7-4-8-12-16)21-13-17(18(20)14-21)15-9-5-3-6-10-15;/h3-12,17-19H,2,13-14,20H2,1H3;1H/t17-,18+,19?;/m0./s1.
What are the key properties of (3S,4R)-4-phenyl-1-(1-phenylpropyl)pyrrolidin-3-amine;hydrochloride?
(3S,4R)-4-phenyl-1-(1-phenylpropyl)pyrrolidin-3-amine;hydrochloride has a molecular weight of 316.88 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-phenyl-1-(1-phenylpropyl)pyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 120761196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).