1,5-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]pyrrolidin-3-amine

C15H24N2 — CID 81467257

IUPAC1,5-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]pyrrolidin-3-amine
SMILESCc1cccc([C@H](C)NC2CC(C)N(C)C2)c1
InChIInChI=1S/C15H24N2/c1-11-6-5-7-14(8-11)13(3)16-15-9-12(2)17(4)10-15/h5-8,12-13,15-16H,9-10H2,1-4H3/t12?,13-,15?/m0/s1
InChIKeyVSEWIVLDJZAEQD-OWYJLGKBSA-N
MW232.37 g/mol
LogP2.74
Rot. Bonds3

About 1,5-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]pyrrolidin-3-amine

1,5-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]pyrrolidin-3-amine (PubChem CID 81467257) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 1,5-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1,5-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]pyrrolidin-3-amine
PubChem CID81467257
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name1,5-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]pyrrolidin-3-amine
SMILESCc1cccc([C@H](C)NC2CC(C)N(C)C2)c1
InChIInChI=1S/C15H24N2/c1-11-6-5-7-14(8-11)13(3)16-15-9-12(2)17(4)10-15/h5-8,12-13,15-16H,9-10H2,1-4H3/t12?,13-,15?/m0/s1
InChIKeyVSEWIVLDJZAEQD-OWYJLGKBSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(3-fluorophenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine
CID 81467258
N-[(1S)-1-(3-methoxyphenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine
CID 81467676
1,5-dimethyl-N-[1-(3-nitrophenyl)ethyl]pyrrolidin-3-amine
CID 81333927
1,5-dimethyl-N-[(1R)-1-pyridin-4-ylethyl]pyrrolidin-3-amine
CID 81467260
N-[1-(4-fluorophenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine
CID 81301717
N-[1-(2-methoxy-5-methylphenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine
CID 81301037
3-(3-methylphenyl)-N-[(1R)-1-(3-methylphenyl)ethyl]cyclobutan-1-amine
CID 81369233
N-[1-(3-fluorophenyl)ethyl]-1,2-dimethylpiperidin-4-amine
CID 81300776
N-[(1S)-1-(3-methylphenyl)ethyl]-4-propan-2-ylcyclohexan-1-amine
CID 81364403
1-cyclopropyl-N-[(1S)-1-(3-methylphenyl)ethyl]pyrrolidin-3-amine
CID 81364151
3-ethyl-N-[(1S)-1-(3-methylphenyl)ethyl]cyclopentan-1-amine
CID 81360857
N-[1-(3-methoxyphenyl)ethyl]-1,2-dimethylpiperidin-4-amine
CID 79690675

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]pyrrolidin-3-amine?
The IUPAC name of 1,5-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]pyrrolidin-3-amine (CID 81467257) is 1,5-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]pyrrolidin-3-amine.
What is the SMILES notation for 1,5-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]pyrrolidin-3-amine?
The canonical SMILES for 1,5-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]pyrrolidin-3-amine is Cc1cccc([C@H](C)NC2CC(C)N(C)C2)c1.
What is the InChIKey of 1,5-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]pyrrolidin-3-amine?
The InChIKey is VSEWIVLDJZAEQD-OWYJLGKBSA-N. The full InChI is InChI=1S/C15H24N2/c1-11-6-5-7-14(8-11)13(3)16-15-9-12(2)17(4)10-15/h5-8,12-13,15-16H,9-10H2,1-4H3/t12?,13-,15?/m0/s1.
What are the key properties of 1,5-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]pyrrolidin-3-amine?
1,5-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]pyrrolidin-3-amine has a molecular weight of 232.37 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 81467257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).