1-(1-phenylpyrrolidin-3-yl)propan-1-amine

C13H20N2 — CID 83981120

IUPAC1-(1-phenylpyrrolidin-3-yl)propan-1-amine
SMILESCCC(N)C1CCN(c2ccccc2)C1
InChIInChI=1S/C13H20N2/c1-2-13(14)11-8-9-15(10-11)12-6-4-3-5-7-12/h3-7,11,13H,2,8-10,14H2,1H3
InChIKeyATJVRGRYKSDVLV-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.25
Rot. Bonds3

About 1-(1-phenylpyrrolidin-3-yl)propan-1-amine

1-(1-phenylpyrrolidin-3-yl)propan-1-amine (PubChem CID 83981120) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 1-(1-phenylpyrrolidin-3-yl)propan-1-amine.

Molecular Properties

Compound Name1-(1-phenylpyrrolidin-3-yl)propan-1-amine
PubChem CID83981120
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name1-(1-phenylpyrrolidin-3-yl)propan-1-amine
SMILESCCC(N)C1CCN(c2ccccc2)C1
InChIInChI=1S/C13H20N2/c1-2-13(14)11-8-9-15(10-11)12-6-4-3-5-7-12/h3-7,11,13H,2,8-10,14H2,1H3
InChIKeyATJVRGRYKSDVLV-UHFFFAOYSA-N
XLogP2.25
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(1-benzylpyrrolidin-3-yl)propan-1-amine
CID 10443395
1-[1-(4-chlorophenyl)pyrrolidin-3-yl]butan-1-amine
CID 83981414
2,2-bis(1-phenylpyrrolidin-3-yl)acetamide
CID 70460540
(3R)-1-phenylpyrrolidin-3-amine
CID 51663648
N-methyl-1-[(3R)-1-phenylpyrrolidin-3-yl]methanamine
CID 42258344
1-[1-(3,5-dimethylphenyl)pyrrolidin-3-yl]butan-1-amine
CID 83981847
N-methyl-1-(1-phenylpyrrolidin-3-yl)propan-2-amine
CID 83981144
1-phenylpyrrolidin-3-ol
CID 11171152
1-[1-(4-ethylsulfonylphenyl)pyrrolidin-3-yl]ethanamine
CID 103976690
[(3S)-1-phenylpyrrolidin-3-yl]methanol
CID 42258987
1-cyclopropyl-N-methyl-N-(1-phenylpiperidin-4-yl)ethane-1,2-diamine
CID 106820716
1-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanamine
CID 103976672

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylpyrrolidin-3-yl)propan-1-amine?
The IUPAC name of 1-(1-phenylpyrrolidin-3-yl)propan-1-amine (CID 83981120) is 1-(1-phenylpyrrolidin-3-yl)propan-1-amine.
What is the SMILES notation for 1-(1-phenylpyrrolidin-3-yl)propan-1-amine?
The canonical SMILES for 1-(1-phenylpyrrolidin-3-yl)propan-1-amine is CCC(N)C1CCN(c2ccccc2)C1.
What is the InChIKey of 1-(1-phenylpyrrolidin-3-yl)propan-1-amine?
The InChIKey is ATJVRGRYKSDVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-2-13(14)11-8-9-15(10-11)12-6-4-3-5-7-12/h3-7,11,13H,2,8-10,14H2,1H3.
What are the key properties of 1-(1-phenylpyrrolidin-3-yl)propan-1-amine?
1-(1-phenylpyrrolidin-3-yl)propan-1-amine has a molecular weight of 204.32 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylpyrrolidin-3-yl)propan-1-amine is sourced from PubChem (CID 83981120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).