2-(2-methylpyrrolidin-1-yl)-1-phenylbutan-1-amine

C15H24N2 — CID 54882608

IUPAC2-(2-methylpyrrolidin-1-yl)-1-phenylbutan-1-amine
SMILESCCC(C(N)c1ccccc1)N1CCCC1C
InChIInChI=1S/C15H24N2/c1-3-14(17-11-7-8-12(17)2)15(16)13-9-5-4-6-10-13/h4-6,9-10,12,14-15H,3,7-8,11,16H2,1-2H3
InChIKeyZIFKJQJATGXUHP-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.95
Rot. Bonds4

About 2-(2-methylpyrrolidin-1-yl)-1-phenylbutan-1-amine

2-(2-methylpyrrolidin-1-yl)-1-phenylbutan-1-amine (PubChem CID 54882608) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-(2-methylpyrrolidin-1-yl)-1-phenylbutan-1-amine.

Molecular Properties

Compound Name2-(2-methylpyrrolidin-1-yl)-1-phenylbutan-1-amine
PubChem CID54882608
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name2-(2-methylpyrrolidin-1-yl)-1-phenylbutan-1-amine
SMILESCCC(C(N)c1ccccc1)N1CCCC1C
InChIInChI=1S/C15H24N2/c1-3-14(17-11-7-8-12(17)2)15(16)13-9-5-4-6-10-13/h4-6,9-10,12,14-15H,3,7-8,11,16H2,1-2H3
InChIKeyZIFKJQJATGXUHP-UHFFFAOYSA-N
XLogP2.95
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-[(1S)-1-phenylethyl]pyrrolidine
CID 141078428
1-phenyl-2-(4-propan-2-ylpiperazin-1-yl)butan-1-amine
CID 43585198
2-[4-(cyclopropylmethyl)piperazin-1-yl]-1-phenylbutan-1-amine
CID 61441577
1-(2-fluorophenyl)-1-(2-methylpyrrolidin-1-yl)butan-2-amine
CID 55019169
[1-(1-phenylpropyl)pyrrolidin-2-yl]methanamine
CID 115311606
2-methyl-1-(2-methylpentan-3-yl)piperidine
CID 89179224
2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-phenylbutan-1-amine
CID 61345712
(2R)-2-[(2R)-2-methylpiperidin-1-yl]-2-phenylacetic acid
CID 1091381
2-N-methyl-2-N-(1-methylpiperidin-3-yl)-1-phenylbutane-1,2-diamine
CID 62546230
2-(2-methylpyrrolidin-1-yl)-2-pyridin-3-ylethanamine
CID 60973443
1-(4-bromophenyl)-1-(2-methylpiperidin-1-yl)butan-2-amine
CID 55015972
2-(2-methylpyrrolidin-1-yl)butan-1-amine
CID 60973442

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpyrrolidin-1-yl)-1-phenylbutan-1-amine?
The IUPAC name of 2-(2-methylpyrrolidin-1-yl)-1-phenylbutan-1-amine (CID 54882608) is 2-(2-methylpyrrolidin-1-yl)-1-phenylbutan-1-amine.
What is the SMILES notation for 2-(2-methylpyrrolidin-1-yl)-1-phenylbutan-1-amine?
The canonical SMILES for 2-(2-methylpyrrolidin-1-yl)-1-phenylbutan-1-amine is CCC(C(N)c1ccccc1)N1CCCC1C.
What is the InChIKey of 2-(2-methylpyrrolidin-1-yl)-1-phenylbutan-1-amine?
The InChIKey is ZIFKJQJATGXUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-3-14(17-11-7-8-12(17)2)15(16)13-9-5-4-6-10-13/h4-6,9-10,12,14-15H,3,7-8,11,16H2,1-2H3.
What are the key properties of 2-(2-methylpyrrolidin-1-yl)-1-phenylbutan-1-amine?
2-(2-methylpyrrolidin-1-yl)-1-phenylbutan-1-amine has a molecular weight of 232.37 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpyrrolidin-1-yl)-1-phenylbutan-1-amine is sourced from PubChem (CID 54882608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).