(1S)-1-[4-[(4-ethylphenyl)methyl]phenyl]ethanamine

C17H21N — CID 174082683

IUPAC(1S)-1-[4-[(4-ethylphenyl)methyl]phenyl]ethanamine
SMILESCCc1ccc(Cc2ccc([C@H](C)N)cc2)cc1
InChIInChI=1S/C17H21N/c1-3-14-4-6-15(7-5-14)12-16-8-10-17(11-9-16)13(2)18/h4-11,13H,3,12,18H2,1-2H3/t13-/m0/s1
InChIKeyMUPLULICNNALCO-ZDUSSCGKSA-N
MW239.36 g/mol
LogP3.86
Rot. Bonds4

About (1S)-1-[4-[(4-ethylphenyl)methyl]phenyl]ethanamine

(1S)-1-[4-[(4-ethylphenyl)methyl]phenyl]ethanamine (PubChem CID 174082683) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is (1S)-1-[4-[(4-ethylphenyl)methyl]phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[4-[(4-ethylphenyl)methyl]phenyl]ethanamine
PubChem CID174082683
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name(1S)-1-[4-[(4-ethylphenyl)methyl]phenyl]ethanamine
SMILESCCc1ccc(Cc2ccc([C@H](C)N)cc2)cc1
InChIInChI=1S/C17H21N/c1-3-14-4-6-15(7-5-14)12-16-8-10-17(11-9-16)13(2)18/h4-11,13H,3,12,18H2,1-2H3/t13-/m0/s1
InChIKeyMUPLULICNNALCO-ZDUSSCGKSA-N
XLogP3.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(4-ethylphenyl)ethanamine
CID 2063952
1-(4-benzylphenyl)ethanamine
CID 3962419
4-[[4-[(1R)-1-aminoethyl]phenyl]methyl]-N-methylaniline
CID 174101748
(1R)-1-[4-[(4-ethylphenyl)methoxy]phenyl]ethanamine
CID 63367548
(1S)-1-(4-propylphenyl)ethanamine
CID 7047688
3-(4-ethylphenyl)butan-2-amine
CID 66439374
1-(4-ethylphenyl)-1-N-methylpropane-1,2-diamine
CID 116948027
chloro-(4-ethylphenyl)methanamine
CID 116947710
2-amino-1-(4-ethylphenyl)propan-1-ol
CID 43209069
(1R,2R)-1-amino-1-(4-ethylphenyl)propan-2-ol
CID 93284110
ethane;1-ethyl-4-propan-2-ylbenzene
CID 145053715
4-[(4-ethylphenyl)methyl]aniline
CID 39242922

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-[(4-ethylphenyl)methyl]phenyl]ethanamine?
The IUPAC name of (1S)-1-[4-[(4-ethylphenyl)methyl]phenyl]ethanamine (CID 174082683) is (1S)-1-[4-[(4-ethylphenyl)methyl]phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[4-[(4-ethylphenyl)methyl]phenyl]ethanamine?
The canonical SMILES for (1S)-1-[4-[(4-ethylphenyl)methyl]phenyl]ethanamine is CCc1ccc(Cc2ccc([C@H](C)N)cc2)cc1.
What is the InChIKey of (1S)-1-[4-[(4-ethylphenyl)methyl]phenyl]ethanamine?
The InChIKey is MUPLULICNNALCO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21N/c1-3-14-4-6-15(7-5-14)12-16-8-10-17(11-9-16)13(2)18/h4-11,13H,3,12,18H2,1-2H3/t13-/m0/s1.
What are the key properties of (1S)-1-[4-[(4-ethylphenyl)methyl]phenyl]ethanamine?
(1S)-1-[4-[(4-ethylphenyl)methyl]phenyl]ethanamine has a molecular weight of 239.36 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-[(4-ethylphenyl)methyl]phenyl]ethanamine is sourced from PubChem (CID 174082683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).