(3S)-1-methyl-N-(1-phenylethyl)pyrrolidin-3-amine

C13H20N2 — CID 134939795

IUPAC(3S)-1-methyl-N-(1-phenylethyl)pyrrolidin-3-amine
SMILESCC(N[C@H]1CCN(C)C1)c1ccccc1
InChIInChI=1S/C13H20N2/c1-11(12-6-4-3-5-7-12)14-13-8-9-15(2)10-13/h3-7,11,13-14H,8-10H2,1-2H3/t11?,13-/m0/s1
InChIKeyBLRQMBGXUBPPLR-YUZLPWPTSA-N
MW204.32 g/mol
LogP2.04
Rot. Bonds3

About (3S)-1-methyl-N-(1-phenylethyl)pyrrolidin-3-amine

(3S)-1-methyl-N-(1-phenylethyl)pyrrolidin-3-amine (PubChem CID 134939795) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is (3S)-1-methyl-N-(1-phenylethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-methyl-N-(1-phenylethyl)pyrrolidin-3-amine
PubChem CID134939795
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name(3S)-1-methyl-N-(1-phenylethyl)pyrrolidin-3-amine
SMILESCC(N[C@H]1CCN(C)C1)c1ccccc1
InChIInChI=1S/C13H20N2/c1-11(12-6-4-3-5-7-12)14-13-8-9-15(2)10-13/h3-7,11,13-14H,8-10H2,1-2H3/t11?,13-/m0/s1
InChIKeyBLRQMBGXUBPPLR-YUZLPWPTSA-N
XLogP2.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-N-[(1S)-1-phenylethyl]azepan-4-amine
CID 81350289
1-methyl-N-[1-(4-methylphenyl)ethyl]pyrrolidin-3-amine
CID 61461431
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 81352092
1-cyclopropyl-N-[(1R)-1-phenylethyl]pyrrolidin-3-amine
CID 81350444
1-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]pyrrolidin-3-amine
CID 61462428
N-[1-(4-methoxyphenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 54949814
N-[1-(4-ethylphenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 54949870
1-methyl-N-(1-pyridin-2-ylethyl)pyrrolidin-3-amine
CID 61461637
N-[(1R)-1-(2-bromophenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 81379065
(3R,4R)-1,3-dimethyl-N-[(1S)-1-phenylethyl]piperidin-4-amine
CID 11172331
N-(1,2-diphenylethyl)-1-methylpyrrolidin-3-amine
CID 61462426
N-[1-(3,4-dimethylphenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 54949868

Frequently Asked Questions

What is the IUPAC name of (3S)-1-methyl-N-(1-phenylethyl)pyrrolidin-3-amine?
The IUPAC name of (3S)-1-methyl-N-(1-phenylethyl)pyrrolidin-3-amine (CID 134939795) is (3S)-1-methyl-N-(1-phenylethyl)pyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-methyl-N-(1-phenylethyl)pyrrolidin-3-amine?
The canonical SMILES for (3S)-1-methyl-N-(1-phenylethyl)pyrrolidin-3-amine is CC(N[C@H]1CCN(C)C1)c1ccccc1.
What is the InChIKey of (3S)-1-methyl-N-(1-phenylethyl)pyrrolidin-3-amine?
The InChIKey is BLRQMBGXUBPPLR-YUZLPWPTSA-N. The full InChI is InChI=1S/C13H20N2/c1-11(12-6-4-3-5-7-12)14-13-8-9-15(2)10-13/h3-7,11,13-14H,8-10H2,1-2H3/t11?,13-/m0/s1.
What are the key properties of (3S)-1-methyl-N-(1-phenylethyl)pyrrolidin-3-amine?
(3S)-1-methyl-N-(1-phenylethyl)pyrrolidin-3-amine has a molecular weight of 204.32 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-methyl-N-(1-phenylethyl)pyrrolidin-3-amine is sourced from PubChem (CID 134939795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).