1-(2-aminophenyl)-4,4-dimethyl-1-phenylpent-2-yn-1-ol

C19H21NO — CID 23624782

IUPAC1-(2-aminophenyl)-4,4-dimethyl-1-phenylpent-2-yn-1-ol
SMILESCC(C)(C)C#CC(O)(c1ccccc1)c1ccccc1N
InChIInChI=1S/C19H21NO/c1-18(2,3)13-14-19(21,15-9-5-4-6-10-15)16-11-7-8-12-17(16)20/h4-12,21H,20H2,1-3H3
InChIKeyIRJCZBBUTJEQBA-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.55
Rot. Bonds2

About 1-(2-aminophenyl)-4,4-dimethyl-1-phenylpent-2-yn-1-ol

1-(2-aminophenyl)-4,4-dimethyl-1-phenylpent-2-yn-1-ol (PubChem CID 23624782) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-(2-aminophenyl)-4,4-dimethyl-1-phenylpent-2-yn-1-ol.

Molecular Properties

Compound Name1-(2-aminophenyl)-4,4-dimethyl-1-phenylpent-2-yn-1-ol
PubChem CID23624782
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name1-(2-aminophenyl)-4,4-dimethyl-1-phenylpent-2-yn-1-ol
SMILESCC(C)(C)C#CC(O)(c1ccccc1)c1ccccc1N
InChIInChI=1S/C19H21NO/c1-18(2,3)13-14-19(21,15-9-5-4-6-10-15)16-11-7-8-12-17(16)20/h4-12,21H,20H2,1-3H3
InChIKeyIRJCZBBUTJEQBA-UHFFFAOYSA-N
XLogP3.55
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-aminophenyl)-1-phenylhept-2-yn-1-ol
CID 23624790
(1R)-1-(2-aminophenyl)-1-phenylethanol
CID 92860842
2-[bis(2-aminophenyl)-phenylmethyl]aniline
CID 18354124
2-(2-aminophenyl)-2-methylpropanenitrile
CID 59934957
2-tert-butylaniline
CID 159041627
(2-aminophenyl)-nitro-phenylmethanol
CID 163711864
ethane;2,5,5-trimethylhex-3-yn-2-ylbenzene
CID 143798052
1,1-diphenylbut-2-yn-1-ol
CID 569279
2-[2-[4-[2-(2-aminophenyl)propan-2-yl]phenyl]propan-2-yl]aniline
CID 18997970
1-[2-(1-hydroxy-1-phenylethyl)phenyl]-1-phenylethanol
CID 139663259
4-(diethylamino)-4-methyl-1,1-diphenylpent-2-yn-1-ol
CID 2835423
(1S)-1-(2-chlorophenyl)-3-[2,3,4,5,6-pentakis[(3S)-3-(2-chlorophenyl)-3-hydroxy-3-phenylprop-1-ynyl]phenyl]-1-phenylprop-2-yn-1-ol
CID 102063537

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-4,4-dimethyl-1-phenylpent-2-yn-1-ol?
The IUPAC name of 1-(2-aminophenyl)-4,4-dimethyl-1-phenylpent-2-yn-1-ol (CID 23624782) is 1-(2-aminophenyl)-4,4-dimethyl-1-phenylpent-2-yn-1-ol.
What is the SMILES notation for 1-(2-aminophenyl)-4,4-dimethyl-1-phenylpent-2-yn-1-ol?
The canonical SMILES for 1-(2-aminophenyl)-4,4-dimethyl-1-phenylpent-2-yn-1-ol is CC(C)(C)C#CC(O)(c1ccccc1)c1ccccc1N.
What is the InChIKey of 1-(2-aminophenyl)-4,4-dimethyl-1-phenylpent-2-yn-1-ol?
The InChIKey is IRJCZBBUTJEQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-18(2,3)13-14-19(21,15-9-5-4-6-10-15)16-11-7-8-12-17(16)20/h4-12,21H,20H2,1-3H3.
What are the key properties of 1-(2-aminophenyl)-4,4-dimethyl-1-phenylpent-2-yn-1-ol?
1-(2-aminophenyl)-4,4-dimethyl-1-phenylpent-2-yn-1-ol has a molecular weight of 279.38 g/mol, XLogP of 3.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-4,4-dimethyl-1-phenylpent-2-yn-1-ol is sourced from PubChem (CID 23624782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).