1-(2-aminophenyl)-1-phenylhept-2-yn-1-ol

C19H21NO — CID 23624790

IUPAC1-(2-aminophenyl)-1-phenylhept-2-yn-1-ol
SMILESCCCCC#CC(O)(c1ccccc1)c1ccccc1N
InChIInChI=1S/C19H21NO/c1-2-3-4-10-15-19(21,16-11-6-5-7-12-16)17-13-8-9-14-18(17)20/h5-9,11-14,21H,2-4,20H2,1H3
InChIKeyKNZXZOSZOKRJEU-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.70
Rot. Bonds4

About 1-(2-aminophenyl)-1-phenylhept-2-yn-1-ol

1-(2-aminophenyl)-1-phenylhept-2-yn-1-ol (PubChem CID 23624790) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-(2-aminophenyl)-1-phenylhept-2-yn-1-ol.

Molecular Properties

Compound Name1-(2-aminophenyl)-1-phenylhept-2-yn-1-ol
PubChem CID23624790
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name1-(2-aminophenyl)-1-phenylhept-2-yn-1-ol
SMILESCCCCC#CC(O)(c1ccccc1)c1ccccc1N
InChIInChI=1S/C19H21NO/c1-2-3-4-10-15-19(21,16-11-6-5-7-12-16)17-13-8-9-14-18(17)20/h5-9,11-14,21H,2-4,20H2,1H3
InChIKeyKNZXZOSZOKRJEU-UHFFFAOYSA-N
XLogP3.70
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-aminophenyl)-4,4-dimethyl-1-phenylpent-2-yn-1-ol
CID 23624782
1-phenylundec-2-yne-1,1-diol
CID 166475568
5-phenylundec-6-yn-5-ol
CID 172639655
1,1-diphenylpent-2-yn-1-ol
CID 155311786
2-hept-1-ynyl-2-phenylpropanedioic acid
CID 166475605
(1R)-1-(2-aminophenyl)-1-phenylethanol
CID 92860842
3-methyl-1,3-diphenylnon-4-yn-1-one
CID 102480469
2-(2-methyltetradecan-2-yl)aniline
CID 46835335
1-(2-aminophenyl)propane-1,1-diol
CID 67410259
7,8-dimethyltetradeca-5,9-diyne-7,8-diol
CID 102249526
1-[4-(2-phenyloct-3-yn-2-yl)phenyl]piperidine
CID 142081162
(E)-3-methyl-2-phenyl-4-trimethylsilyldec-3-en-5-yn-2-ol
CID 11957885

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-1-phenylhept-2-yn-1-ol?
The IUPAC name of 1-(2-aminophenyl)-1-phenylhept-2-yn-1-ol (CID 23624790) is 1-(2-aminophenyl)-1-phenylhept-2-yn-1-ol.
What is the SMILES notation for 1-(2-aminophenyl)-1-phenylhept-2-yn-1-ol?
The canonical SMILES for 1-(2-aminophenyl)-1-phenylhept-2-yn-1-ol is CCCCC#CC(O)(c1ccccc1)c1ccccc1N.
What is the InChIKey of 1-(2-aminophenyl)-1-phenylhept-2-yn-1-ol?
The InChIKey is KNZXZOSZOKRJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-2-3-4-10-15-19(21,16-11-6-5-7-12-16)17-13-8-9-14-18(17)20/h5-9,11-14,21H,2-4,20H2,1H3.
What are the key properties of 1-(2-aminophenyl)-1-phenylhept-2-yn-1-ol?
1-(2-aminophenyl)-1-phenylhept-2-yn-1-ol has a molecular weight of 279.38 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-1-phenylhept-2-yn-1-ol is sourced from PubChem (CID 23624790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).