[4-amino-3-[(E)-but-1-enyl]phenyl]methanol

C11H15NO — CID 118593284

IUPAC[4-amino-3-[(E)-but-1-enyl]phenyl]methanol
SMILESCC/C=C/c1cc(CO)ccc1N
InChIInChI=1S/C11H15NO/c1-2-3-4-10-7-9(8-13)5-6-11(10)12/h3-7,13H,2,8,12H2,1H3/b4-3+
InChIKeyBERWVHGLUAOYLQ-ONEGZZNKSA-N
MW177.25 g/mol
LogP2.18
Rot. Bonds3

About [4-amino-3-[(E)-but-1-enyl]phenyl]methanol

[4-amino-3-[(E)-but-1-enyl]phenyl]methanol (PubChem CID 118593284) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is [4-amino-3-[(E)-but-1-enyl]phenyl]methanol.

Molecular Properties

Compound Name[4-amino-3-[(E)-but-1-enyl]phenyl]methanol
PubChem CID118593284
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name[4-amino-3-[(E)-but-1-enyl]phenyl]methanol
SMILESCC/C=C/c1cc(CO)ccc1N
InChIInChI=1S/C11H15NO/c1-2-3-4-10-7-9(8-13)5-6-11(10)12/h3-7,13H,2,8,12H2,1H3/b4-3+
InChIKeyBERWVHGLUAOYLQ-ONEGZZNKSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[2-amino-5-(hydroxymethyl)phenyl]but-3-enoic acid
CID 69165191
phenyl N-[2-[(E)-but-1-enyl]-4-(hydroxymethyl)phenyl]carbamate
CID 118593280
(3,4-diaminophenyl)methanol;hydrochloride
CID 174554686
(3,4-diaminophenyl)methanol;dihydrochloride
CID 24721578
[4-methyl-3-(3-sulfanylprop-1-enyl)phenyl]methanol
CID 169455074
3-(2-amino-5-ethylphenyl)prop-2-enal
CID 169459104
(E)-3-[2-amino-5-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]prop-2-en-1-ol
CID 178189825
(4-amino-3-iodophenyl)methanol
CID 22724559
ethyl 4-[2-chloro-5-(hydroxymethyl)phenyl]but-3-enoate
CID 170796017
5-but-1-enyl-4-methylbenzene-1,3-diamine
CID 54413354
2-(3-aminoprop-1-enyl)-4-methoxyaniline
CID 169463650
2-ethyl-5-(hydroxymethyl)benzaldehyde
CID 131311847

Frequently Asked Questions

What is the IUPAC name of [4-amino-3-[(E)-but-1-enyl]phenyl]methanol?
The IUPAC name of [4-amino-3-[(E)-but-1-enyl]phenyl]methanol (CID 118593284) is [4-amino-3-[(E)-but-1-enyl]phenyl]methanol.
What is the SMILES notation for [4-amino-3-[(E)-but-1-enyl]phenyl]methanol?
The canonical SMILES for [4-amino-3-[(E)-but-1-enyl]phenyl]methanol is CC/C=C/c1cc(CO)ccc1N.
What is the InChIKey of [4-amino-3-[(E)-but-1-enyl]phenyl]methanol?
The InChIKey is BERWVHGLUAOYLQ-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H15NO/c1-2-3-4-10-7-9(8-13)5-6-11(10)12/h3-7,13H,2,8,12H2,1H3/b4-3+.
What are the key properties of [4-amino-3-[(E)-but-1-enyl]phenyl]methanol?
[4-amino-3-[(E)-but-1-enyl]phenyl]methanol has a molecular weight of 177.25 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-3-[(E)-but-1-enyl]phenyl]methanol is sourced from PubChem (CID 118593284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).