2-(3-methylpyrrolidin-1-yl)-3-phenylbutan-1-amine

C15H24N2 — CID 61222019

IUPAC2-(3-methylpyrrolidin-1-yl)-3-phenylbutan-1-amine
SMILESCC1CCN(C(CN)C(C)c2ccccc2)C1
InChIInChI=1S/C15H24N2/c1-12-8-9-17(11-12)15(10-16)13(2)14-6-4-3-5-7-14/h3-7,12-13,15H,8-11,16H2,1-2H3
InChIKeyUIUMMJSEUQKTRU-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.46
Rot. Bonds4

About 2-(3-methylpyrrolidin-1-yl)-3-phenylbutan-1-amine

2-(3-methylpyrrolidin-1-yl)-3-phenylbutan-1-amine (PubChem CID 61222019) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-(3-methylpyrrolidin-1-yl)-3-phenylbutan-1-amine.

Molecular Properties

Compound Name2-(3-methylpyrrolidin-1-yl)-3-phenylbutan-1-amine
PubChem CID61222019
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name2-(3-methylpyrrolidin-1-yl)-3-phenylbutan-1-amine
SMILESCC1CCN(C(CN)C(C)c2ccccc2)C1
InChIInChI=1S/C15H24N2/c1-12-8-9-17(11-12)15(10-16)13(2)14-6-4-3-5-7-14/h3-7,12-13,15H,8-11,16H2,1-2H3
InChIKeyUIUMMJSEUQKTRU-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylpiperidin-1-yl)-3-phenylbutan-1-amine
CID 61099951
2-(4-ethylpiperidin-1-yl)-3-phenylbutan-1-amine
CID 61421182
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-phenylbutan-1-amine
CID 104958196
2-[4-(methoxymethyl)piperidin-1-yl]-3-phenylbutan-1-amine
CID 63973836
2-(4-ethoxypiperidin-1-yl)-3-phenylbutan-1-amine
CID 61218423
4-methyl-1-(3-phenylbutan-2-yl)piperidine
CID 176713457
2-[3-(methoxymethyl)piperidin-1-yl]-3-phenylbutan-1-amine
CID 106586416
2-(4,4-dimethylpiperidin-1-yl)-3-phenylbutan-1-amine
CID 62937911
(2R)-2-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanamine
CID 9160808
2-(3-methylpyrrolidin-1-yl)-1,2-diphenylethanamine
CID 61226976
2-(4-methylpiperidin-1-yl)-1-phenylpropan-1-amine
CID 16781161
2-methyl-N-[2-(3-methylpyrrolidin-1-yl)-2-phenylethyl]propan-1-amine
CID 62428755

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpyrrolidin-1-yl)-3-phenylbutan-1-amine?
The IUPAC name of 2-(3-methylpyrrolidin-1-yl)-3-phenylbutan-1-amine (CID 61222019) is 2-(3-methylpyrrolidin-1-yl)-3-phenylbutan-1-amine.
What is the SMILES notation for 2-(3-methylpyrrolidin-1-yl)-3-phenylbutan-1-amine?
The canonical SMILES for 2-(3-methylpyrrolidin-1-yl)-3-phenylbutan-1-amine is CC1CCN(C(CN)C(C)c2ccccc2)C1.
What is the InChIKey of 2-(3-methylpyrrolidin-1-yl)-3-phenylbutan-1-amine?
The InChIKey is UIUMMJSEUQKTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-12-8-9-17(11-12)15(10-16)13(2)14-6-4-3-5-7-14/h3-7,12-13,15H,8-11,16H2,1-2H3.
What are the key properties of 2-(3-methylpyrrolidin-1-yl)-3-phenylbutan-1-amine?
2-(3-methylpyrrolidin-1-yl)-3-phenylbutan-1-amine has a molecular weight of 232.37 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpyrrolidin-1-yl)-3-phenylbutan-1-amine is sourced from PubChem (CID 61222019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).