2-amino-4-hex-1-enylphenol

C12H17NO — CID 151495931

IUPAC2-amino-4-hex-1-enylphenol
SMILESCCCCC=Cc1ccc(O)c(N)c1
InChIInChI=1S/C12H17NO/c1-2-3-4-5-6-10-7-8-12(14)11(13)9-10/h5-9,14H,2-4,13H2,1H3
InChIKeyPPKQTACIQDLBNO-UHFFFAOYSA-N
MW191.27 g/mol
LogP3.18
Rot. Bonds4

About 2-amino-4-hex-1-enylphenol

2-amino-4-hex-1-enylphenol (PubChem CID 151495931) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-amino-4-hex-1-enylphenol.

Molecular Properties

Compound Name2-amino-4-hex-1-enylphenol
PubChem CID151495931
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-amino-4-hex-1-enylphenol
SMILESCCCCC=Cc1ccc(O)c(N)c1
InChIInChI=1S/C12H17NO/c1-2-3-4-5-6-10-7-8-12(14)11(13)9-10/h5-9,14H,2-4,13H2,1H3
InChIKeyPPKQTACIQDLBNO-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-[(E)-hept-1-enyl]benzene-1,2-diol
CID 19968505
3-[(E)-hex-1-enyl]phenol
CID 121007177
N-[4-(3-amino-4-hydroxyphenyl)but-3-enyl]acetamide
CID 170488438
4-(19-aminononadec-1-enyl)benzene-1,2-diol
CID 67683385
4-[(1E,5E)-undeca-1,5-dienyl]phenol
CID 141405483
1-[3-[(E)-hex-1-enyl]phenyl]ethanone
CID 10512317
4-deca-1,7-dienyl-2-ethoxyphenol
CID 172611463
5-tridec-1-enylbenzene-1,3-diol
CID 71328262
5-[(E)-tetradec-1-enyl]benzene-1,3-diol
CID 102403768
5-oct-1-enylbenzene-1,3-diol
CID 54079025
5-hex-1-enyl-1-benzofuran
CID 57039277
3-(3-hex-1-enylphenyl)prop-2-enoic acid
CID 57256540

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-hex-1-enylphenol?
The IUPAC name of 2-amino-4-hex-1-enylphenol (CID 151495931) is 2-amino-4-hex-1-enylphenol.
What is the SMILES notation for 2-amino-4-hex-1-enylphenol?
The canonical SMILES for 2-amino-4-hex-1-enylphenol is CCCCC=Cc1ccc(O)c(N)c1.
What is the InChIKey of 2-amino-4-hex-1-enylphenol?
The InChIKey is PPKQTACIQDLBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-2-3-4-5-6-10-7-8-12(14)11(13)9-10/h5-9,14H,2-4,13H2,1H3.
What are the key properties of 2-amino-4-hex-1-enylphenol?
2-amino-4-hex-1-enylphenol has a molecular weight of 191.27 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-hex-1-enylphenol is sourced from PubChem (CID 151495931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).