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

C17H19NO — CID 78936519

IUPAC(1S)-1-[2-(3-phenylprop-2-enoxy)phenyl]ethanamine
SMILESC[C@H](N)c1ccccc1OCC=Cc1ccccc1
InChIInChI=1S/C17H19NO/c1-14(18)16-11-5-6-12-17(16)19-13-7-10-15-8-3-2-4-9-15/h2-12,14H,13,18H2,1H3/t14-/m0/s1
InChIKeyZHHZEBXUYRNRSW-AWEZNQCLSA-N
MW253.34 g/mol
LogP3.80
Rot. Bonds5

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

(1S)-1-[2-(3-phenylprop-2-enoxy)phenyl]ethanamine (PubChem CID 78936519) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is (1S)-1-[2-(3-phenylprop-2-enoxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[2-(3-phenylprop-2-enoxy)phenyl]ethanamine
PubChem CID78936519
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name(1S)-1-[2-(3-phenylprop-2-enoxy)phenyl]ethanamine
SMILESC[C@H](N)c1ccccc1OCC=Cc1ccccc1
InChIInChI=1S/C17H19NO/c1-14(18)16-11-5-6-12-17(16)19-13-7-10-15-8-3-2-4-9-15/h2-12,14H,13,18H2,1H3/t14-/m0/s1
InChIKeyZHHZEBXUYRNRSW-AWEZNQCLSA-N
XLogP3.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[5-methyl-2-(3-phenylprop-2-enoxy)phenyl]ethanamine
CID 78936353
(1S)-1-[4-bromo-2-[(E)-3-phenylprop-2-enoxy]phenyl]ethanamine
CID 102947278
2-[(E)-3-phenylprop-2-enoxy]phenol
CID 12554327
1-[5-methyl-2-[(E)-3-phenylprop-2-enoxy]phenyl]ethanol
CID 43505396
(1R)-1-[5-chloro-2-(3-phenylprop-2-enoxy)phenyl]ethanol
CID 78930104
1-iodo-2-[(E)-3-phenylprop-2-enoxy]benzene
CID 11198459
1-tert-butyl-2-(3-phenylprop-2-enoxy)benzene
CID 77053007
(1S)-1-(2-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 71758033
2-[2-(1-aminoethyl)phenoxy]-1-phenylethanol
CID 60878238
trifluoro-[2-(3-phenylprop-2-enoxy)phenyl]boranuide
CID 77016973
(1S)-1-[4-bromo-2-[(E)-3-phenylprop-2-enoxy]phenyl]ethanol
CID 102949116
(1R)-1-[2-(2-methylpentoxy)phenyl]ethanamine
CID 63367049

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(3-phenylprop-2-enoxy)phenyl]ethanamine?
The IUPAC name of (1S)-1-[2-(3-phenylprop-2-enoxy)phenyl]ethanamine (CID 78936519) is (1S)-1-[2-(3-phenylprop-2-enoxy)phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[2-(3-phenylprop-2-enoxy)phenyl]ethanamine?
The canonical SMILES for (1S)-1-[2-(3-phenylprop-2-enoxy)phenyl]ethanamine is C[C@H](N)c1ccccc1OCC=Cc1ccccc1.
What is the InChIKey of (1S)-1-[2-(3-phenylprop-2-enoxy)phenyl]ethanamine?
The InChIKey is ZHHZEBXUYRNRSW-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H19NO/c1-14(18)16-11-5-6-12-17(16)19-13-7-10-15-8-3-2-4-9-15/h2-12,14H,13,18H2,1H3/t14-/m0/s1.
What are the key properties of (1S)-1-[2-(3-phenylprop-2-enoxy)phenyl]ethanamine?
(1S)-1-[2-(3-phenylprop-2-enoxy)phenyl]ethanamine has a molecular weight of 253.34 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(3-phenylprop-2-enoxy)phenyl]ethanamine is sourced from PubChem (CID 78936519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).