(1S)-1-[5-methyl-2-(3-phenylprop-2-enoxy)phenyl]ethanamine

C18H21NO — CID 78936353

IUPAC(1S)-1-[5-methyl-2-(3-phenylprop-2-enoxy)phenyl]ethanamine
SMILESCc1ccc(OCC=Cc2ccccc2)c([C@H](C)N)c1
InChIInChI=1S/C18H21NO/c1-14-10-11-18(17(13-14)15(2)19)20-12-6-9-16-7-4-3-5-8-16/h3-11,13,15H,12,19H2,1-2H3/t15-/m0/s1
InChIKeyYGKMDIPRECHVKD-HNNXBMFYSA-N
MW267.37 g/mol
LogP4.11
Rot. Bonds5

About (1S)-1-[5-methyl-2-(3-phenylprop-2-enoxy)phenyl]ethanamine

(1S)-1-[5-methyl-2-(3-phenylprop-2-enoxy)phenyl]ethanamine (PubChem CID 78936353) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is (1S)-1-[5-methyl-2-(3-phenylprop-2-enoxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[5-methyl-2-(3-phenylprop-2-enoxy)phenyl]ethanamine
PubChem CID78936353
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name(1S)-1-[5-methyl-2-(3-phenylprop-2-enoxy)phenyl]ethanamine
SMILESCc1ccc(OCC=Cc2ccccc2)c([C@H](C)N)c1
InChIInChI=1S/C18H21NO/c1-14-10-11-18(17(13-14)15(2)19)20-12-6-9-16-7-4-3-5-8-16/h3-11,13,15H,12,19H2,1-2H3/t15-/m0/s1
InChIKeyYGKMDIPRECHVKD-HNNXBMFYSA-N
XLogP4.11
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-methyl-2-[(E)-3-phenylprop-2-enoxy]phenyl]ethanol
CID 43505396
(1S)-1-[2-(3-phenylprop-2-enoxy)phenyl]ethanamine
CID 78936519
(1S)-1-[4-bromo-2-[(E)-3-phenylprop-2-enoxy]phenyl]ethanamine
CID 102947278
5-methyl-2-(3-phenylprop-2-enoxy)benzaldehyde
CID 77011403
(1R)-1-[5-chloro-2-(3-phenylprop-2-enoxy)phenyl]ethanol
CID 78930104
(1S)-1-[5-methyl-2-(pyrimidin-2-ylmethoxy)phenyl]ethanamine
CID 78936782
(1S)-1-[2-[(3,5-dimethylphenyl)methoxy]-5-methylphenyl]ethanamine
CID 78936431
1-[2-(methoxymethoxy)-5-methylphenyl]ethanamine
CID 65365858
(1S)-1-(2-but-2-enoxy-4-methylphenyl)ethanamine
CID 78947003
1-[5-methyl-2-[(4-methylphenyl)methoxy]phenyl]ethanamine
CID 43505054
1-[5-methyl-2-(3-methylbutoxy)phenyl]ethanamine
CID 43504992
4-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]butanenitrile
CID 78936428

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-methyl-2-(3-phenylprop-2-enoxy)phenyl]ethanamine?
The IUPAC name of (1S)-1-[5-methyl-2-(3-phenylprop-2-enoxy)phenyl]ethanamine (CID 78936353) is (1S)-1-[5-methyl-2-(3-phenylprop-2-enoxy)phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[5-methyl-2-(3-phenylprop-2-enoxy)phenyl]ethanamine?
The canonical SMILES for (1S)-1-[5-methyl-2-(3-phenylprop-2-enoxy)phenyl]ethanamine is Cc1ccc(OCC=Cc2ccccc2)c([C@H](C)N)c1.
What is the InChIKey of (1S)-1-[5-methyl-2-(3-phenylprop-2-enoxy)phenyl]ethanamine?
The InChIKey is YGKMDIPRECHVKD-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H21NO/c1-14-10-11-18(17(13-14)15(2)19)20-12-6-9-16-7-4-3-5-8-16/h3-11,13,15H,12,19H2,1-2H3/t15-/m0/s1.
What are the key properties of (1S)-1-[5-methyl-2-(3-phenylprop-2-enoxy)phenyl]ethanamine?
(1S)-1-[5-methyl-2-(3-phenylprop-2-enoxy)phenyl]ethanamine has a molecular weight of 267.37 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-methyl-2-(3-phenylprop-2-enoxy)phenyl]ethanamine is sourced from PubChem (CID 78936353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).