1-(4-aminophenyl)-2-(4-propan-2-ylphenyl)ethanol

C17H21NO — CID 106695441

IUPAC1-(4-aminophenyl)-2-(4-propan-2-ylphenyl)ethanol
SMILESCC(C)c1ccc(CC(O)c2ccc(N)cc2)cc1
InChIInChI=1S/C17H21NO/c1-12(2)14-5-3-13(4-6-14)11-17(19)15-7-9-16(18)10-8-15/h3-10,12,17,19H,11,18H2,1-2H3
InChIKeyVNELSEWRJQCKGG-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.67
Rot. Bonds4

About 1-(4-aminophenyl)-2-(4-propan-2-ylphenyl)ethanol

1-(4-aminophenyl)-2-(4-propan-2-ylphenyl)ethanol (PubChem CID 106695441) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-(4-aminophenyl)-2-(4-propan-2-ylphenyl)ethanol.

Molecular Properties

Compound Name1-(4-aminophenyl)-2-(4-propan-2-ylphenyl)ethanol
PubChem CID106695441
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name1-(4-aminophenyl)-2-(4-propan-2-ylphenyl)ethanol
SMILESCC(C)c1ccc(CC(O)c2ccc(N)cc2)cc1
InChIInChI=1S/C17H21NO/c1-12(2)14-5-3-13(4-6-14)11-17(19)15-7-9-16(18)10-8-15/h3-10,12,17,19H,11,18H2,1-2H3
InChIKeyVNELSEWRJQCKGG-UHFFFAOYSA-N
XLogP3.67
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.67
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

2-(4-chlorophenyl)-1-(4-propan-2-ylphenyl)ethanol
CID 60797871
1-(4-propan-2-ylphenyl)pentane-2,3-diol
CID 103454563
2-(3,4-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanol
CID 63410604
2-(4-aminophenoxy)-1-(4-propan-2-ylphenyl)ethanol
CID 46307232
4-[[(4-propan-2-ylphenyl)methylamino]methyl]aniline
CID 115212458
(3R,6S)-2,3,6,7-tetrahydroxy-1,8-bis(4-propan-2-ylphenyl)octane-4,5-dione
CID 54178101
1-(4-aminophenyl)-5-methylhexan-1-ol
CID 106695506
1-(3-chloro-4-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 63414664
1-(2,6-dichlorophenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 65150451
2-(furan-3-yl)-1-(4-propan-2-ylphenyl)ethanol
CID 83173147
1-(2-bromopropyl)-4-propan-2-ylbenzene
CID 82254877
2-(4-chlorophenyl)-1-(4-methylphenyl)ethanol
CID 60798981

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-2-(4-propan-2-ylphenyl)ethanol?
The IUPAC name of 1-(4-aminophenyl)-2-(4-propan-2-ylphenyl)ethanol (CID 106695441) is 1-(4-aminophenyl)-2-(4-propan-2-ylphenyl)ethanol.
What is the SMILES notation for 1-(4-aminophenyl)-2-(4-propan-2-ylphenyl)ethanol?
The canonical SMILES for 1-(4-aminophenyl)-2-(4-propan-2-ylphenyl)ethanol is CC(C)c1ccc(CC(O)c2ccc(N)cc2)cc1.
What is the InChIKey of 1-(4-aminophenyl)-2-(4-propan-2-ylphenyl)ethanol?
The InChIKey is VNELSEWRJQCKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-12(2)14-5-3-13(4-6-14)11-17(19)15-7-9-16(18)10-8-15/h3-10,12,17,19H,11,18H2,1-2H3.
What are the key properties of 1-(4-aminophenyl)-2-(4-propan-2-ylphenyl)ethanol?
1-(4-aminophenyl)-2-(4-propan-2-ylphenyl)ethanol has a molecular weight of 255.36 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-2-(4-propan-2-ylphenyl)ethanol is sourced from PubChem (CID 106695441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).