(1S)-1-[4-(2-ethylpyrrolidin-1-yl)phenyl]propan-1-amine

C15H24N2 — CID 114066064

IUPAC(1S)-1-[4-(2-ethylpyrrolidin-1-yl)phenyl]propan-1-amine
SMILESCCC1CCCN1c1ccc([C@@H](N)CC)cc1
InChIInChI=1S/C15H24N2/c1-3-13-6-5-11-17(13)14-9-7-12(8-10-14)15(16)4-2/h7-10,13,15H,3-6,11,16H2,1-2H3/t13?,15-/m0/s1
InChIKeyLKIBUOQGAPYFBU-WUJWULDRSA-N
MW232.37 g/mol
LogP3.48
Rot. Bonds4

About (1S)-1-[4-(2-ethylpyrrolidin-1-yl)phenyl]propan-1-amine

(1S)-1-[4-(2-ethylpyrrolidin-1-yl)phenyl]propan-1-amine (PubChem CID 114066064) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is (1S)-1-[4-(2-ethylpyrrolidin-1-yl)phenyl]propan-1-amine.

Molecular Properties

Compound Name(1S)-1-[4-(2-ethylpyrrolidin-1-yl)phenyl]propan-1-amine
PubChem CID114066064
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name(1S)-1-[4-(2-ethylpyrrolidin-1-yl)phenyl]propan-1-amine
SMILESCCC1CCCN1c1ccc([C@@H](N)CC)cc1
InChIInChI=1S/C15H24N2/c1-3-13-6-5-11-17(13)14-9-7-12(8-10-14)15(16)4-2/h7-10,13,15H,3-6,11,16H2,1-2H3/t13?,15-/m0/s1
InChIKeyLKIBUOQGAPYFBU-WUJWULDRSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-[4-(2-ethylpiperidin-1-yl)phenyl]propan-1-amine
CID 114066011
4-(2-ethylpyrrolidin-1-yl)aniline
CID 60973731
(1R)-1-[4-(2-methylpiperidin-1-yl)phenyl]propan-1-amine
CID 114065949
(1R)-1-[2-(2-ethylpyrrolidin-1-yl)phenyl]propan-1-amine
CID 103958582
2-ethyl-1-(4-methylphenyl)piperidine
CID 90712958
4-(2-ethylpyrrolidin-1-yl)-N'-hydroxybenzenecarboximidamide
CID 54883042
(1R)-1-(4-piperidin-1-ylphenyl)propan-1-amine
CID 103694418
4-(2-ethylpyrrolidin-1-yl)-2-methylaniline
CID 60974665
5-(2-ethylpyrrolidin-1-yl)pyridin-2-amine
CID 60973489
1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]propan-1-amine
CID 114066118
N-[[4-(2-ethylpyrrolidin-1-yl)phenyl]methyl]cyclopropanamine
CID 54885642
2-(2-ethylpyrrolidin-1-yl)-1-(4-fluorophenyl)ethanamine
CID 107519853

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(2-ethylpyrrolidin-1-yl)phenyl]propan-1-amine?
The IUPAC name of (1S)-1-[4-(2-ethylpyrrolidin-1-yl)phenyl]propan-1-amine (CID 114066064) is (1S)-1-[4-(2-ethylpyrrolidin-1-yl)phenyl]propan-1-amine.
What is the SMILES notation for (1S)-1-[4-(2-ethylpyrrolidin-1-yl)phenyl]propan-1-amine?
The canonical SMILES for (1S)-1-[4-(2-ethylpyrrolidin-1-yl)phenyl]propan-1-amine is CCC1CCCN1c1ccc([C@@H](N)CC)cc1.
What is the InChIKey of (1S)-1-[4-(2-ethylpyrrolidin-1-yl)phenyl]propan-1-amine?
The InChIKey is LKIBUOQGAPYFBU-WUJWULDRSA-N. The full InChI is InChI=1S/C15H24N2/c1-3-13-6-5-11-17(13)14-9-7-12(8-10-14)15(16)4-2/h7-10,13,15H,3-6,11,16H2,1-2H3/t13?,15-/m0/s1.
What are the key properties of (1S)-1-[4-(2-ethylpyrrolidin-1-yl)phenyl]propan-1-amine?
(1S)-1-[4-(2-ethylpyrrolidin-1-yl)phenyl]propan-1-amine has a molecular weight of 232.37 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-(2-ethylpyrrolidin-1-yl)phenyl]propan-1-amine is sourced from PubChem (CID 114066064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).