1-(3-aminophenyl)-2-(3,5-dimethylphenyl)ethanol

C16H19NO — CID 106695951

IUPAC1-(3-aminophenyl)-2-(3,5-dimethylphenyl)ethanol
SMILESCc1cc(C)cc(CC(O)c2cccc(N)c2)c1
InChIInChI=1S/C16H19NO/c1-11-6-12(2)8-13(7-11)9-16(18)14-4-3-5-15(17)10-14/h3-8,10,16,18H,9,17H2,1-2H3
InChIKeyBUYCTSWWVFRRGG-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.16
Rot. Bonds3

About 1-(3-aminophenyl)-2-(3,5-dimethylphenyl)ethanol

1-(3-aminophenyl)-2-(3,5-dimethylphenyl)ethanol (PubChem CID 106695951) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-(3-aminophenyl)-2-(3,5-dimethylphenyl)ethanol.

Molecular Properties

Compound Name1-(3-aminophenyl)-2-(3,5-dimethylphenyl)ethanol
PubChem CID106695951
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name1-(3-aminophenyl)-2-(3,5-dimethylphenyl)ethanol
SMILESCc1cc(C)cc(CC(O)c2cccc(N)c2)c1
InChIInChI=1S/C16H19NO/c1-11-6-12(2)8-13(7-11)9-16(18)14-4-3-5-15(17)10-14/h3-8,10,16,18H,9,17H2,1-2H3
InChIKeyBUYCTSWWVFRRGG-UHFFFAOYSA-N
XLogP3.16
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.16
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

1-[3-(difluoromethoxy)phenyl]-2-(3,5-dimethylphenyl)ethanol
CID 114980286
1-(3-aminophenyl)-2-(3-methylphenyl)sulfanylethanol
CID 62267411
1-(3-aminophenyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanol
CID 102924753
1,3-bis(3-aminophenyl)propan-1-ol
CID 12932007
1-(3-aminophenyl)-2-thiophen-2-ylethanol
CID 106695892
1-(3-aminophenyl)-2-[4-(trifluoromethoxy)phenyl]ethanol
CID 106695922
1-(3-aminophenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanol
CID 65038506
2-(3,5-dimethylphenyl)-1-(4-methylsulfanylphenyl)ethanol
CID 114980284
1,3-bis(3,5-dimethylphenyl)propan-2-ol
CID 63411020
2-(3,5-dimethylphenyl)-1-quinolin-6-ylethanol
CID 63095266
3-(3-aminophenyl)-3-hydroxypropanal
CID 102502170
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,5-dimethylphenyl)ethanol
CID 62792009

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-2-(3,5-dimethylphenyl)ethanol?
The IUPAC name of 1-(3-aminophenyl)-2-(3,5-dimethylphenyl)ethanol (CID 106695951) is 1-(3-aminophenyl)-2-(3,5-dimethylphenyl)ethanol.
What is the SMILES notation for 1-(3-aminophenyl)-2-(3,5-dimethylphenyl)ethanol?
The canonical SMILES for 1-(3-aminophenyl)-2-(3,5-dimethylphenyl)ethanol is Cc1cc(C)cc(CC(O)c2cccc(N)c2)c1.
What is the InChIKey of 1-(3-aminophenyl)-2-(3,5-dimethylphenyl)ethanol?
The InChIKey is BUYCTSWWVFRRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-11-6-12(2)8-13(7-11)9-16(18)14-4-3-5-15(17)10-14/h3-8,10,16,18H,9,17H2,1-2H3.
What are the key properties of 1-(3-aminophenyl)-2-(3,5-dimethylphenyl)ethanol?
1-(3-aminophenyl)-2-(3,5-dimethylphenyl)ethanol has a molecular weight of 241.33 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-2-(3,5-dimethylphenyl)ethanol is sourced from PubChem (CID 106695951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).