2-amino-1,4-diphenylbutan-2-ol

C16H19NO — CID 67531215

IUPAC2-amino-1,4-diphenylbutan-2-ol
SMILESNC(O)(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C16H19NO/c17-16(18,13-15-9-5-2-6-10-15)12-11-14-7-3-1-4-8-14/h1-10,18H,11-13,17H2
InChIKeyWHCABECBODZYET-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.51
Rot. Bonds5

About 2-amino-1,4-diphenylbutan-2-ol

2-amino-1,4-diphenylbutan-2-ol (PubChem CID 67531215) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-amino-1,4-diphenylbutan-2-ol.

Molecular Properties

Compound Name2-amino-1,4-diphenylbutan-2-ol
PubChem CID67531215
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name2-amino-1,4-diphenylbutan-2-ol
SMILESNC(O)(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C16H19NO/c17-16(18,13-15-9-5-2-6-10-15)12-11-14-7-3-1-4-8-14/h1-10,18H,11-13,17H2
InChIKeyWHCABECBODZYET-UHFFFAOYSA-N
XLogP2.51
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1,4-diphenylbutan-2-ol
CID 103642101
3,3-dibenzyl-1,5-diphenylpentane-2,2-diamine
CID 140983955
1,1-diamino-3-phenylpropane-1-thiol
CID 139890892
2-(2-phenylethyl)propane-1,2,3-triol
CID 67654093
2,2-dihydroxy-4-phenylbutanoic acid
CID 54448569
(2-benzyl-1,4-diphenylbutan-2-yl)benzene
CID 21493579
2-amino-2-hydroxy-N-methoxy-N-methyl-4-phenylbutanamide
CID 22593839
3,4,4,5-tetramethyl-1-phenylhex-5-en-3-ol
CID 101413425
(2R)-4-(4-aminophenyl)-2-phenylbutan-2-ol
CID 175022996
(3,3-dichloro-5-phenylpentyl)benzene
CID 11033683
2-amino-1-phenylbutane-2,3-diol
CID 175388454
1-phenylpentane-2,2-diol
CID 56635388

Frequently Asked Questions

What is the IUPAC name of 2-amino-1,4-diphenylbutan-2-ol?
The IUPAC name of 2-amino-1,4-diphenylbutan-2-ol (CID 67531215) is 2-amino-1,4-diphenylbutan-2-ol.
What is the SMILES notation for 2-amino-1,4-diphenylbutan-2-ol?
The canonical SMILES for 2-amino-1,4-diphenylbutan-2-ol is NC(O)(CCc1ccccc1)Cc1ccccc1.
What is the InChIKey of 2-amino-1,4-diphenylbutan-2-ol?
The InChIKey is WHCABECBODZYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c17-16(18,13-15-9-5-2-6-10-15)12-11-14-7-3-1-4-8-14/h1-10,18H,11-13,17H2.
What are the key properties of 2-amino-1,4-diphenylbutan-2-ol?
2-amino-1,4-diphenylbutan-2-ol has a molecular weight of 241.33 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1,4-diphenylbutan-2-ol is sourced from PubChem (CID 67531215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).