1-phenyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine

C17H28N2 — CID 61206975

IUPAC1-phenyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine
SMILESCCC(NCC1CCN(C(C)C)C1)c1ccccc1
InChIInChI=1S/C17H28N2/c1-4-17(16-8-6-5-7-9-16)18-12-15-10-11-19(13-15)14(2)3/h5-9,14-15,17-18H,4,10-13H2,1-3H3
InChIKeyRRBZNFGALGYPOA-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.46
Rot. Bonds6

About 1-phenyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine

1-phenyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine (PubChem CID 61206975) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-phenyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name1-phenyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine
PubChem CID61206975
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-phenyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine
SMILESCCC(NCC1CCN(C(C)C)C1)c1ccccc1
InChIInChI=1S/C17H28N2/c1-4-17(16-8-6-5-7-9-16)18-12-15-10-11-19(13-15)14(2)3/h5-9,14-15,17-18H,4,10-13H2,1-3H3
InChIKeyRRBZNFGALGYPOA-UHFFFAOYSA-N
XLogP3.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxyphenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine
CID 61208115
N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenylbutan-1-amine
CID 60856064
1-(2,4-dichlorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine
CID 61209100
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pentan-3-amine
CID 61208503
N-(1-phenylpropyl)-1-propan-2-ylpiperidin-4-amine
CID 43206638
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1-pyridin-3-ylethanamine
CID 61208112
N-(1-phenylbutyl)-1-propan-2-ylpiperidin-4-amine
CID 43182970
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-methyl-1-phenylbutan-1-amine
CID 60857323
(2R)-2-[ethyl(methyl)amino]-2-phenyl-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]acetamide
CID 124811415
3-[1-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]ethyl]benzonitrile
CID 61207369
N-(oxolan-3-ylmethyl)-1-phenylpropan-1-amine
CID 60920561
3-[(1-methylpyrrolidin-3-yl)methylamino]-3-phenylpropanenitrile
CID 55117722

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine?
The IUPAC name of 1-phenyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine (CID 61206975) is 1-phenyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine.
What is the SMILES notation for 1-phenyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine?
The canonical SMILES for 1-phenyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine is CCC(NCC1CCN(C(C)C)C1)c1ccccc1.
What is the InChIKey of 1-phenyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine?
The InChIKey is RRBZNFGALGYPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-17(16-8-6-5-7-9-16)18-12-15-10-11-19(13-15)14(2)3/h5-9,14-15,17-18H,4,10-13H2,1-3H3.
What are the key properties of 1-phenyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine?
1-phenyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine has a molecular weight of 260.43 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 61206975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).