4-[(Z)-1-amino-4-methylpent-2-en-3-yl]phenol

C12H17NO — CID 115018674

IUPAC4-[(Z)-1-amino-4-methylpent-2-en-3-yl]phenol
SMILESCC(C)/C(=C/CN)c1ccc(O)cc1
InChIInChI=1S/C12H17NO/c1-9(2)12(7-8-13)10-3-5-11(14)6-4-10/h3-7,9,14H,8,13H2,1-2H3/b12-7-
InChIKeyFBALTZTWSHMMRO-GHXNOFRVSA-N
MW191.27 g/mol
LogP2.39
Rot. Bonds3

About 4-[(Z)-1-amino-4-methylpent-2-en-3-yl]phenol

4-[(Z)-1-amino-4-methylpent-2-en-3-yl]phenol (PubChem CID 115018674) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 4-[(Z)-1-amino-4-methylpent-2-en-3-yl]phenol.

Molecular Properties

Compound Name4-[(Z)-1-amino-4-methylpent-2-en-3-yl]phenol
PubChem CID115018674
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name4-[(Z)-1-amino-4-methylpent-2-en-3-yl]phenol
SMILESCC(C)/C(=C/CN)c1ccc(O)cc1
InChIInChI=1S/C12H17NO/c1-9(2)12(7-8-13)10-3-5-11(14)6-4-10/h3-7,9,14H,8,13H2,1-2H3/b12-7-
InChIKeyFBALTZTWSHMMRO-GHXNOFRVSA-N
XLogP2.39
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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4-[4-(4-hydroxyphenyl)hex-4-en-2-yl]phenol
CID 158413505
2-amino-1-(4-hydroxyphenyl)propan-1-one;hydrochloride
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4-amino-1-(4-hydroxyphenyl)pentan-1-one
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4-(3-amino-2-methylpropyl)phenol;ethane
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4-[(Z)-hex-2-en-2-yl]phenol
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CID 131675810

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-1-amino-4-methylpent-2-en-3-yl]phenol?
The IUPAC name of 4-[(Z)-1-amino-4-methylpent-2-en-3-yl]phenol (CID 115018674) is 4-[(Z)-1-amino-4-methylpent-2-en-3-yl]phenol.
What is the SMILES notation for 4-[(Z)-1-amino-4-methylpent-2-en-3-yl]phenol?
The canonical SMILES for 4-[(Z)-1-amino-4-methylpent-2-en-3-yl]phenol is CC(C)/C(=C/CN)c1ccc(O)cc1.
What is the InChIKey of 4-[(Z)-1-amino-4-methylpent-2-en-3-yl]phenol?
The InChIKey is FBALTZTWSHMMRO-GHXNOFRVSA-N. The full InChI is InChI=1S/C12H17NO/c1-9(2)12(7-8-13)10-3-5-11(14)6-4-10/h3-7,9,14H,8,13H2,1-2H3/b12-7-.
What are the key properties of 4-[(Z)-1-amino-4-methylpent-2-en-3-yl]phenol?
4-[(Z)-1-amino-4-methylpent-2-en-3-yl]phenol has a molecular weight of 191.27 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-1-amino-4-methylpent-2-en-3-yl]phenol is sourced from PubChem (CID 115018674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).