2-phenyl-N-(2-pyrrolidin-1-ylpropyl)propan-1-amine

C16H26N2 — CID 113222784

IUPAC2-phenyl-N-(2-pyrrolidin-1-ylpropyl)propan-1-amine
SMILESCC(CNCC(C)N1CCCC1)c1ccccc1
InChIInChI=1S/C16H26N2/c1-14(16-8-4-3-5-9-16)12-17-13-15(2)18-10-6-7-11-18/h3-5,8-9,14-15,17H,6-7,10-13H2,1-2H3
InChIKeyOXKMZNYWLHVMEQ-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.86
Rot. Bonds6

About 2-phenyl-N-(2-pyrrolidin-1-ylpropyl)propan-1-amine

2-phenyl-N-(2-pyrrolidin-1-ylpropyl)propan-1-amine (PubChem CID 113222784) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-phenyl-N-(2-pyrrolidin-1-ylpropyl)propan-1-amine.

Molecular Properties

Compound Name2-phenyl-N-(2-pyrrolidin-1-ylpropyl)propan-1-amine
PubChem CID113222784
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-phenyl-N-(2-pyrrolidin-1-ylpropyl)propan-1-amine
SMILESCC(CNCC(C)N1CCCC1)c1ccccc1
InChIInChI=1S/C16H26N2/c1-14(16-8-4-3-5-9-16)12-17-13-15(2)18-10-6-7-11-18/h3-5,8-9,14-15,17H,6-7,10-13H2,1-2H3
InChIKeyOXKMZNYWLHVMEQ-UHFFFAOYSA-N
XLogP2.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-phenyl-N-[(2S)-2-phenylpropyl]propan-1-amine
CID 7054159
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N-[2-(azocan-1-yl)propyl]aniline
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2-methyl-N-(2-phenylpropyl)propan-1-amine;hydrochloride
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1-phenyl-N-(2-pyrrolidin-1-ylpropyl)pentan-1-amine
CID 79139729
(1R)-1-phenyl-2-(2-phenylpropylamino)ethanol
CID 67763390
1-phenyl-2-(2-phenylpropylamino)ethanol
CID 17158257
1-(2-phenylpropylamino)propan-2-ol;hydrochloride
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N-ethyl-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 43180882
2-pyrrolidin-1-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propan-1-amine
CID 112727664

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(2-pyrrolidin-1-ylpropyl)propan-1-amine?
The IUPAC name of 2-phenyl-N-(2-pyrrolidin-1-ylpropyl)propan-1-amine (CID 113222784) is 2-phenyl-N-(2-pyrrolidin-1-ylpropyl)propan-1-amine.
What is the SMILES notation for 2-phenyl-N-(2-pyrrolidin-1-ylpropyl)propan-1-amine?
The canonical SMILES for 2-phenyl-N-(2-pyrrolidin-1-ylpropyl)propan-1-amine is CC(CNCC(C)N1CCCC1)c1ccccc1.
What is the InChIKey of 2-phenyl-N-(2-pyrrolidin-1-ylpropyl)propan-1-amine?
The InChIKey is OXKMZNYWLHVMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-14(16-8-4-3-5-9-16)12-17-13-15(2)18-10-6-7-11-18/h3-5,8-9,14-15,17H,6-7,10-13H2,1-2H3.
What are the key properties of 2-phenyl-N-(2-pyrrolidin-1-ylpropyl)propan-1-amine?
2-phenyl-N-(2-pyrrolidin-1-ylpropyl)propan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(2-pyrrolidin-1-ylpropyl)propan-1-amine is sourced from PubChem (CID 113222784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).