(E)-3-[2-(1-aminoethyl)phenyl]prop-2-en-1-ol

C11H15NO — CID 178014118

IUPAC(E)-3-[2-(1-aminoethyl)phenyl]prop-2-en-1-ol
SMILESCC(N)c1ccccc1/C=C/CO
InChIInChI=1S/C11H15NO/c1-9(12)11-7-3-2-5-10(11)6-4-8-13/h2-7,9,13H,8,12H2,1H3/b6-4+
InChIKeyMHYCXVSHVPCECN-GQCTYLIASA-N
MW177.25 g/mol
LogP1.71
Rot. Bonds3

About (E)-3-[2-(1-aminoethyl)phenyl]prop-2-en-1-ol

(E)-3-[2-(1-aminoethyl)phenyl]prop-2-en-1-ol (PubChem CID 178014118) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is (E)-3-[2-(1-aminoethyl)phenyl]prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-[2-(1-aminoethyl)phenyl]prop-2-en-1-ol
PubChem CID178014118
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name(E)-3-[2-(1-aminoethyl)phenyl]prop-2-en-1-ol
SMILESCC(N)c1ccccc1/C=C/CO
InChIInChI=1S/C11H15NO/c1-9(12)11-7-3-2-5-10(11)6-4-8-13/h2-7,9,13H,8,12H2,1H3/b6-4+
InChIKeyMHYCXVSHVPCECN-GQCTYLIASA-N
XLogP1.71
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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(E)-3-(2-methoxyphenyl)prop-2-en-1-ol
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[2-[(1S)-1-aminoethyl]phenyl]methanol;hydrochloride
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(E)-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-ol
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(E)-3-(2,3-dimethoxyphenyl)prop-2-en-1-ol
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2-[(E)-4-aminohex-1-enyl]phenol
CID 55254229
1-[2-(3-hydroxyprop-1-enyl)phenyl]-3-methylurea
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Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-(1-aminoethyl)phenyl]prop-2-en-1-ol?
The IUPAC name of (E)-3-[2-(1-aminoethyl)phenyl]prop-2-en-1-ol (CID 178014118) is (E)-3-[2-(1-aminoethyl)phenyl]prop-2-en-1-ol.
What is the SMILES notation for (E)-3-[2-(1-aminoethyl)phenyl]prop-2-en-1-ol?
The canonical SMILES for (E)-3-[2-(1-aminoethyl)phenyl]prop-2-en-1-ol is CC(N)c1ccccc1/C=C/CO.
What is the InChIKey of (E)-3-[2-(1-aminoethyl)phenyl]prop-2-en-1-ol?
The InChIKey is MHYCXVSHVPCECN-GQCTYLIASA-N. The full InChI is InChI=1S/C11H15NO/c1-9(12)11-7-3-2-5-10(11)6-4-8-13/h2-7,9,13H,8,12H2,1H3/b6-4+.
What are the key properties of (E)-3-[2-(1-aminoethyl)phenyl]prop-2-en-1-ol?
(E)-3-[2-(1-aminoethyl)phenyl]prop-2-en-1-ol has a molecular weight of 177.25 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-(1-aminoethyl)phenyl]prop-2-en-1-ol is sourced from PubChem (CID 178014118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).