2-[4-(2-pyrrolidin-1-ylethyl)phenyl]propan-2-amine

C15H24N2 — CID 117337032

IUPAC2-[4-(2-pyrrolidin-1-ylethyl)phenyl]propan-2-amine
SMILESCC(C)(N)c1ccc(CCN2CCCC2)cc1
InChIInChI=1S/C15H24N2/c1-15(2,16)14-7-5-13(6-8-14)9-12-17-10-3-4-11-17/h5-8H,3-4,9-12,16H2,1-2H3
InChIKeyIEFMJTRAFCDBTN-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.52
Rot. Bonds4

About 2-[4-(2-pyrrolidin-1-ylethyl)phenyl]propan-2-amine

2-[4-(2-pyrrolidin-1-ylethyl)phenyl]propan-2-amine (PubChem CID 117337032) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-[4-(2-pyrrolidin-1-ylethyl)phenyl]propan-2-amine.

Molecular Properties

Compound Name2-[4-(2-pyrrolidin-1-ylethyl)phenyl]propan-2-amine
PubChem CID117337032
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name2-[4-(2-pyrrolidin-1-ylethyl)phenyl]propan-2-amine
SMILESCC(C)(N)c1ccc(CCN2CCCC2)cc1
InChIInChI=1S/C15H24N2/c1-15(2,16)14-7-5-13(6-8-14)9-12-17-10-3-4-11-17/h5-8H,3-4,9-12,16H2,1-2H3
InChIKeyIEFMJTRAFCDBTN-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-chlorophenyl)ethyl]pyrrolidine
CID 22364204
1-[2-(4-tert-butylphenyl)ethyl]-1,4-diazepane
CID 82090319
1-[[4-[4-(2-piperidin-1-ylethyl)phenyl]phenyl]methyl]piperidine
CID 25147728
1-[[4-(2-piperidin-1-ylethyl)phenyl]methyl]cyclopropan-1-amine
CID 117400107
2-[4-(morpholin-4-ylmethyl)phenyl]propan-2-amine
CID 82026958
1-[2-(4-octylphenyl)ethyl]azepane
CID 71546091
1-[2-[4-(1,1-difluoroethyl)phenyl]ethyl]piperazine
CID 117389286
bis[4-(2-pyrrolidin-1-ylethyl)phenyl]methanone
CID 57106697
(3S)-1-[2-(4-tert-butylphenyl)ethyl]pyrrolidin-3-amine
CID 94769640
N-ethyl-N-[[4-(2-piperidin-1-ylethyl)phenyl]methyl]ethanamine
CID 71034556
3-(4-tert-butylphenyl)-1-[4-(3-pyrrolidin-1-ylpropanoyl)piperazin-1-yl]propan-1-one
CID 110422541
1-[2-[4-(2-methoxypropan-2-yl)phenyl]ethyl]piperazine
CID 117411194

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-pyrrolidin-1-ylethyl)phenyl]propan-2-amine?
The IUPAC name of 2-[4-(2-pyrrolidin-1-ylethyl)phenyl]propan-2-amine (CID 117337032) is 2-[4-(2-pyrrolidin-1-ylethyl)phenyl]propan-2-amine.
What is the SMILES notation for 2-[4-(2-pyrrolidin-1-ylethyl)phenyl]propan-2-amine?
The canonical SMILES for 2-[4-(2-pyrrolidin-1-ylethyl)phenyl]propan-2-amine is CC(C)(N)c1ccc(CCN2CCCC2)cc1.
What is the InChIKey of 2-[4-(2-pyrrolidin-1-ylethyl)phenyl]propan-2-amine?
The InChIKey is IEFMJTRAFCDBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-15(2,16)14-7-5-13(6-8-14)9-12-17-10-3-4-11-17/h5-8H,3-4,9-12,16H2,1-2H3.
What are the key properties of 2-[4-(2-pyrrolidin-1-ylethyl)phenyl]propan-2-amine?
2-[4-(2-pyrrolidin-1-ylethyl)phenyl]propan-2-amine has a molecular weight of 232.37 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-pyrrolidin-1-ylethyl)phenyl]propan-2-amine is sourced from PubChem (CID 117337032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).