amino-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-phenylmethanol

C15H19NO — CID 118292910

IUPACamino-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-phenylmethanol
SMILESCC1(C)C=CC(C(N)(O)c2ccccc2)=CC1
InChIInChI=1S/C15H19NO/c1-14(2)10-8-13(9-11-14)15(16,17)12-6-4-3-5-7-12/h3-10,17H,11,16H2,1-2H3
InChIKeyVDEHOYVBFCDQHE-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.70
Rot. Bonds2

About amino-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-phenylmethanol

amino-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-phenylmethanol (PubChem CID 118292910) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is amino-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-phenylmethanol.

Molecular Properties

Compound Nameamino-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-phenylmethanol
PubChem CID118292910
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Nameamino-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-phenylmethanol
SMILESCC1(C)C=CC(C(N)(O)c2ccccc2)=CC1
InChIInChI=1S/C15H19NO/c1-14(2)10-8-13(9-11-14)15(16,17)12-6-4-3-5-7-12/h3-10,17H,11,16H2,1-2H3
InChIKeyVDEHOYVBFCDQHE-UHFFFAOYSA-N
XLogP2.70
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze amino-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-phenylmethanol 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

methyl 2-(4,4-difluorocyclohexa-1,5-dien-1-yl)-2-hydroxy-2-phenylacetate
CID 161334756
2-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-1-phenylethanone
CID 139924242
(3-bromophenyl)-(4,4-difluorocyclohexa-1,5-dien-1-yl)-phenylmethanol
CID 53446888
4-[1-(3,4-dicarboxyphenyl)-4-(2-phenylpropan-2-yl)cyclohexa-2,4-dien-1-yl]phthalic acid
CID 69225001
2-(2-phenylpropan-2-yl)-5,5-bis(prop-2-enoxy)cyclohexa-1,3-diene
CID 67764351
1-methyl-4-phenylcyclohexa-2,4-dien-1-ol
CID 70019499
1-amino-2-phenylpropan-2-ol;hydrochloride
CID 17039439
3-(4,4-dimethylcyclohexa-1,5-dien-1-yl)aniline
CID 131995524
1-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-phenylpropan-2-ol
CID 107271988
1,1-diphenylethanamine
CID 12761172
1-azulen-1-yl-4-tert-butylcyclohexa-2,4-dien-1-amine
CID 170553358
1-(4,4-dimethylpiperidin-1-yl)-2-phenylpropan-2-ol
CID 62931095

Frequently Asked Questions

What is the IUPAC name of amino-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-phenylmethanol?
The IUPAC name of amino-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-phenylmethanol (CID 118292910) is amino-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-phenylmethanol.
What is the SMILES notation for amino-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-phenylmethanol?
The canonical SMILES for amino-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-phenylmethanol is CC1(C)C=CC(C(N)(O)c2ccccc2)=CC1.
What is the InChIKey of amino-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-phenylmethanol?
The InChIKey is VDEHOYVBFCDQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-14(2)10-8-13(9-11-14)15(16,17)12-6-4-3-5-7-12/h3-10,17H,11,16H2,1-2H3.
What are the key properties of amino-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-phenylmethanol?
amino-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-phenylmethanol has a molecular weight of 229.32 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for amino-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-phenylmethanol is sourced from PubChem (CID 118292910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).