(3S,5S)-5-methyl-1-phenylpyrrolidin-3-amine

C11H16N2 — CID 95566552

IUPAC(3S,5S)-5-methyl-1-phenylpyrrolidin-3-amine
SMILESC[C@H]1C[C@H](N)CN1c1ccccc1
InChIInChI=1S/C11H16N2/c1-9-7-10(12)8-13(9)11-5-3-2-4-6-11/h2-6,9-10H,7-8,12H2,1H3/t9-,10-/m0/s1
InChIKeyLKYAKEWXEUZGHO-UWVGGRQHSA-N
MW176.26 g/mol
LogP1.61
Rot. Bonds1

About (3S,5S)-5-methyl-1-phenylpyrrolidin-3-amine

(3S,5S)-5-methyl-1-phenylpyrrolidin-3-amine (PubChem CID 95566552) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is (3S,5S)-5-methyl-1-phenylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,5S)-5-methyl-1-phenylpyrrolidin-3-amine
PubChem CID95566552
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name(3S,5S)-5-methyl-1-phenylpyrrolidin-3-amine
SMILESC[C@H]1C[C@H](N)CN1c1ccccc1
InChIInChI=1S/C11H16N2/c1-9-7-10(12)8-13(9)11-5-3-2-4-6-11/h2-6,9-10H,7-8,12H2,1H3/t9-,10-/m0/s1
InChIKeyLKYAKEWXEUZGHO-UWVGGRQHSA-N
XLogP1.61
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-isopropyl-N'-phenyl-p-phenylenediamine
CID 7573
N-Ethylaniline
CID 7670
N,N-dimethyl-p-phenylenediamine
CID 7472
N-Isopropylaniline
CID 13032
1-Phenylpiperazine
CID 7096
N,N-Diethyl-p-phenylenediamine
CID 7120
N,N-Diethylaniline
CID 7061
N,N'-Di-sec-butyl-p-phenylenediamine
CID 7589
1,1-Dimethyl-4-phenylpiperazinium iodide
CID 5911
N-Butylaniline
CID 14310
1-(2-Fluorophenyl)piperazine
CID 70529
N,N-Diethyl-p-phenylenediamine hydrochloride
CID 75145

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-5-methyl-1-phenylpyrrolidin-3-amine?
The IUPAC name of (3S,5S)-5-methyl-1-phenylpyrrolidin-3-amine (CID 95566552) is (3S,5S)-5-methyl-1-phenylpyrrolidin-3-amine.
What is the SMILES notation for (3S,5S)-5-methyl-1-phenylpyrrolidin-3-amine?
The canonical SMILES for (3S,5S)-5-methyl-1-phenylpyrrolidin-3-amine is C[C@H]1C[C@H](N)CN1c1ccccc1.
What is the InChIKey of (3S,5S)-5-methyl-1-phenylpyrrolidin-3-amine?
The InChIKey is LKYAKEWXEUZGHO-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H16N2/c1-9-7-10(12)8-13(9)11-5-3-2-4-6-11/h2-6,9-10H,7-8,12H2,1H3/t9-,10-/m0/s1.
What are the key properties of (3S,5S)-5-methyl-1-phenylpyrrolidin-3-amine?
(3S,5S)-5-methyl-1-phenylpyrrolidin-3-amine has a molecular weight of 176.26 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-5-methyl-1-phenylpyrrolidin-3-amine is sourced from PubChem (CID 95566552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).