(1S)-1-[4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]ethanamine

C15H24N2 — CID 83220342

IUPAC(1S)-1-[4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]ethanamine
SMILESCCC1CCC(C)N1c1ccc([C@H](C)N)cc1
InChIInChI=1S/C15H24N2/c1-4-14-8-5-11(2)17(14)15-9-6-13(7-10-15)12(3)16/h6-7,9-12,14H,4-5,8,16H2,1-3H3/t11?,12-,14?/m0/s1
InChIKeyWVXUYLUBUXNLBZ-LXVYMNJGSA-N
MW232.37 g/mol
LogP3.47
Rot. Bonds3

About (1S)-1-[4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]ethanamine

(1S)-1-[4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]ethanamine (PubChem CID 83220342) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is (1S)-1-[4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]ethanamine
PubChem CID83220342
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name(1S)-1-[4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]ethanamine
SMILESCCC1CCC(C)N1c1ccc([C@H](C)N)cc1
InChIInChI=1S/C15H24N2/c1-4-14-8-5-11(2)17(14)15-9-6-13(7-10-15)12(3)16/h6-7,9-12,14H,4-5,8,16H2,1-3H3/t11?,12-,14?/m0/s1
InChIKeyWVXUYLUBUXNLBZ-LXVYMNJGSA-N
XLogP3.47
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(chloromethyl)phenyl]-2-ethyl-5-methylpyrrolidine
CID 83220626
4-(2-ethyl-5-methylpyrrolidin-1-yl)benzenecarbothioamide
CID 83227295
N-[[4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 83219785
N-[[4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methyl]ethanamine
CID 83219275
1-[2-chloro-4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]ethanol
CID 83220393
(1S)-1-[6-(2-ethyl-5-methylpyrrolidin-1-yl)-3-pyridinyl]ethanol
CID 83220027
1-[5-(2-ethyl-5-methylpyrrolidin-1-yl)-2-pyridinyl]propan-1-ol
CID 112585503
4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylbenzenecarbothioamide
CID 83227296
8-[4-[(1R)-1-aminoethyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 78950772
(1S)-1-[4-(2-methylpyrrolidin-1-yl)phenyl]ethanamine
CID 63369438
[4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylphenyl]methanol
CID 83219086
5-(2-ethyl-5-methylpyrrolidin-1-yl)-2-[1-(propylamino)ethyl]phenol
CID 83219375

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]ethanamine?
The IUPAC name of (1S)-1-[4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]ethanamine (CID 83220342) is (1S)-1-[4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]ethanamine?
The canonical SMILES for (1S)-1-[4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]ethanamine is CCC1CCC(C)N1c1ccc([C@H](C)N)cc1.
What is the InChIKey of (1S)-1-[4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]ethanamine?
The InChIKey is WVXUYLUBUXNLBZ-LXVYMNJGSA-N. The full InChI is InChI=1S/C15H24N2/c1-4-14-8-5-11(2)17(14)15-9-6-13(7-10-15)12(3)16/h6-7,9-12,14H,4-5,8,16H2,1-3H3/t11?,12-,14?/m0/s1.
What are the key properties of (1S)-1-[4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]ethanamine?
(1S)-1-[4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]ethanamine has a molecular weight of 232.37 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]ethanamine is sourced from PubChem (CID 83220342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).