2-[(E)-4-aminohex-1-enyl]phenol

C12H17NO — CID 55254229

IUPAC2-[(E)-4-aminohex-1-enyl]phenol
SMILESCCC(N)C/C=C/c1ccccc1O
InChIInChI=1S/C12H17NO/c1-2-11(13)8-5-7-10-6-3-4-9-12(10)14/h3-7,9,11,14H,2,8,13H2,1H3/b7-5+
InChIKeyZEWCLLJNQXIEKS-FNORWQNLSA-N
MW191.27 g/mol
LogP2.53
Rot. Bonds4

About 2-[(E)-4-aminohex-1-enyl]phenol

2-[(E)-4-aminohex-1-enyl]phenol (PubChem CID 55254229) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-[(E)-4-aminohex-1-enyl]phenol.

Molecular Properties

Compound Name2-[(E)-4-aminohex-1-enyl]phenol
PubChem CID55254229
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-[(E)-4-aminohex-1-enyl]phenol
SMILESCCC(N)C/C=C/c1ccccc1O
InChIInChI=1S/C12H17NO/c1-2-11(13)8-5-7-10-6-3-4-9-12(10)14/h3-7,9,11,14H,2,8,13H2,1H3/b7-5+
InChIKeyZEWCLLJNQXIEKS-FNORWQNLSA-N
XLogP2.53
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2-[(Z)-pent-1-enyl]phenol
CID 142052125
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2-(3-sulfanylprop-1-enyl)phenol
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(E)-6-pyridin-4-ylhex-5-en-3-amine
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2-(4-sulfanylbut-1-enyl)phenol
CID 170477733
2-octa-1,3-dienylphenol
CID 54092888
1,2-bis(but-1-enyl)benzene
CID 140975855
2-[5-[4-(aminomethyl)phenyl]penta-1,4-dienyl]phenol
CID 174929671
3-(2-hydroxyphenyl)prop-2-ene-1,1-diol
CID 57308836
2-[(Z)-4-methyl-4-(2-methylphenyl)pent-1-enyl]phenol
CID 122547011
2-[(Z)-2-chloro-3-hydroxypent-1-enyl]phenol
CID 14869652
(E)-3-[2-(1-aminoethyl)phenyl]prop-2-en-1-ol
CID 178014118

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-4-aminohex-1-enyl]phenol?
The IUPAC name of 2-[(E)-4-aminohex-1-enyl]phenol (CID 55254229) is 2-[(E)-4-aminohex-1-enyl]phenol.
What is the SMILES notation for 2-[(E)-4-aminohex-1-enyl]phenol?
The canonical SMILES for 2-[(E)-4-aminohex-1-enyl]phenol is CCC(N)C/C=C/c1ccccc1O.
What is the InChIKey of 2-[(E)-4-aminohex-1-enyl]phenol?
The InChIKey is ZEWCLLJNQXIEKS-FNORWQNLSA-N. The full InChI is InChI=1S/C12H17NO/c1-2-11(13)8-5-7-10-6-3-4-9-12(10)14/h3-7,9,11,14H,2,8,13H2,1H3/b7-5+.
What are the key properties of 2-[(E)-4-aminohex-1-enyl]phenol?
2-[(E)-4-aminohex-1-enyl]phenol has a molecular weight of 191.27 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-4-aminohex-1-enyl]phenol is sourced from PubChem (CID 55254229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).