4-(1-aminoethenyl)-2-methyl-5-[(Z)-prop-1-enyl]phenol

C12H15NO — CID 142012265

IUPAC4-(1-aminoethenyl)-2-methyl-5-[(Z)-prop-1-enyl]phenol
SMILESC=C(N)c1cc(C)c(O)cc1/C=C\C
InChIInChI=1S/C12H15NO/c1-4-5-10-7-12(14)8(2)6-11(10)9(3)13/h4-7,14H,3,13H2,1-2H3/b5-4-
InChIKeyDHNSTJPCHOFVJB-PLNGDYQASA-N
MW189.26 g/mol
LogP2.66
Rot. Bonds2

About 4-(1-aminoethenyl)-2-methyl-5-[(Z)-prop-1-enyl]phenol

4-(1-aminoethenyl)-2-methyl-5-[(Z)-prop-1-enyl]phenol (PubChem CID 142012265) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 4-(1-aminoethenyl)-2-methyl-5-[(Z)-prop-1-enyl]phenol.

Molecular Properties

Compound Name4-(1-aminoethenyl)-2-methyl-5-[(Z)-prop-1-enyl]phenol
PubChem CID142012265
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name4-(1-aminoethenyl)-2-methyl-5-[(Z)-prop-1-enyl]phenol
SMILESC=C(N)c1cc(C)c(O)cc1/C=C\C
InChIInChI=1S/C12H15NO/c1-4-5-10-7-12(14)8(2)6-11(10)9(3)13/h4-7,14H,3,13H2,1-2H3/b5-4-
InChIKeyDHNSTJPCHOFVJB-PLNGDYQASA-N
XLogP2.66
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(1-aminoethenyl)-2-methyl-5-[(Z)-prop-1-enyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,4,5-trimethylphenyl)ethenamine
CID 134277556
1,5-dimethyl-2-[(E)-prop-1-enyl]-4-prop-1-en-2-ylbenzene
CID 169185434
1,4-dimethyl-2,5-bis[(Z)-prop-1-enyl]benzene;ethane
CID 142173958
4-methyl-3-prop-1-enylphenol
CID 59722537
3,4-dibromo-5-[(Z)-prop-1-enyl]benzene-1,2-diol
CID 143034227
2-methylprop-1-ene;1-methyl-2-[(Z)-prop-1-enyl]benzene
CID 144743897
2-methyl-5-prop-1-en-2-ylbenzene-1,4-diol
CID 10749539
(E)-2-[2,5-dimethyl-4-[(E)-prop-1-enyl]phenyl]ethenol
CID 143980341
4-formyl-2-hydroxy-5-methylbenzoic acid
CID 170993830
4-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-methylphenol
CID 142835600
4-hydroxy-3-[(E)-prop-1-enyl]benzenecarboximidamide
CID 142087834
4-hydroxy-3-prop-1-enylbenzenecarboximidamide
CID 141032250

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethenyl)-2-methyl-5-[(Z)-prop-1-enyl]phenol?
The IUPAC name of 4-(1-aminoethenyl)-2-methyl-5-[(Z)-prop-1-enyl]phenol (CID 142012265) is 4-(1-aminoethenyl)-2-methyl-5-[(Z)-prop-1-enyl]phenol.
What is the SMILES notation for 4-(1-aminoethenyl)-2-methyl-5-[(Z)-prop-1-enyl]phenol?
The canonical SMILES for 4-(1-aminoethenyl)-2-methyl-5-[(Z)-prop-1-enyl]phenol is C=C(N)c1cc(C)c(O)cc1/C=C\C.
What is the InChIKey of 4-(1-aminoethenyl)-2-methyl-5-[(Z)-prop-1-enyl]phenol?
The InChIKey is DHNSTJPCHOFVJB-PLNGDYQASA-N. The full InChI is InChI=1S/C12H15NO/c1-4-5-10-7-12(14)8(2)6-11(10)9(3)13/h4-7,14H,3,13H2,1-2H3/b5-4-.
What are the key properties of 4-(1-aminoethenyl)-2-methyl-5-[(Z)-prop-1-enyl]phenol?
4-(1-aminoethenyl)-2-methyl-5-[(Z)-prop-1-enyl]phenol has a molecular weight of 189.26 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethenyl)-2-methyl-5-[(Z)-prop-1-enyl]phenol is sourced from PubChem (CID 142012265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).