(2R)-4-(4-aminophenyl)-2-phenylbutan-2-ol

C16H19NO — CID 175022996

IUPAC(2R)-4-(4-aminophenyl)-2-phenylbutan-2-ol
SMILESC[C@@](O)(CCc1ccc(N)cc1)c1ccccc1
InChIInChI=1S/C16H19NO/c1-16(18,14-5-3-2-4-6-14)12-11-13-7-9-15(17)10-8-13/h2-10,18H,11-12,17H2,1H3/t16-/m1/s1
InChIKeyODCSAHHEXCPHJZ-MRXNPFEDSA-N
MW241.33 g/mol
LogP3.11
Rot. Bonds4

About (2R)-4-(4-aminophenyl)-2-phenylbutan-2-ol

(2R)-4-(4-aminophenyl)-2-phenylbutan-2-ol (PubChem CID 175022996) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is (2R)-4-(4-aminophenyl)-2-phenylbutan-2-ol.

Molecular Properties

Compound Name(2R)-4-(4-aminophenyl)-2-phenylbutan-2-ol
PubChem CID175022996
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name(2R)-4-(4-aminophenyl)-2-phenylbutan-2-ol
SMILESC[C@@](O)(CCc1ccc(N)cc1)c1ccccc1
InChIInChI=1S/C16H19NO/c1-16(18,14-5-3-2-4-6-14)12-11-13-7-9-15(17)10-8-13/h2-10,18H,11-12,17H2,1H3/t16-/m1/s1
InChIKeyODCSAHHEXCPHJZ-MRXNPFEDSA-N
XLogP3.11
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluorophenyl)-4-phenylbutan-2-ol
CID 54919518
5-(4-aminophenyl)-3-hydroxy-3-methylpentanoic acid
CID 18736900
4-(2-hydroxy-4-phenylbutan-2-yl)benzonitrile
CID 115481593
4-(3-iodo-3-methylbutyl)aniline
CID 167284801
2-methyl-1,4-diphenylbutan-2-ol
CID 103642101
[4-(2-iodoethyl)phenyl]-diphenylmethanol
CID 163674659
(2S,4R)-2,4-diphenylpentane-2,4-diol
CID 139037078
aniline;2,3-dimethylbutane-2,3-diol
CID 174954079
1-(4-fluorophenyl)-2-phenylpropan-2-ol
CID 53329553
1-amino-2-phenylpropan-2-ol;hydrochloride
CID 17039439
4-[2-(4-aminophenyl)-1-phenylpropan-2-yl]aniline
CID 59136544
aniline;1-phenylpropane-1,1-diol
CID 159835517

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(4-aminophenyl)-2-phenylbutan-2-ol?
The IUPAC name of (2R)-4-(4-aminophenyl)-2-phenylbutan-2-ol (CID 175022996) is (2R)-4-(4-aminophenyl)-2-phenylbutan-2-ol.
What is the SMILES notation for (2R)-4-(4-aminophenyl)-2-phenylbutan-2-ol?
The canonical SMILES for (2R)-4-(4-aminophenyl)-2-phenylbutan-2-ol is C[C@@](O)(CCc1ccc(N)cc1)c1ccccc1.
What is the InChIKey of (2R)-4-(4-aminophenyl)-2-phenylbutan-2-ol?
The InChIKey is ODCSAHHEXCPHJZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H19NO/c1-16(18,14-5-3-2-4-6-14)12-11-13-7-9-15(17)10-8-13/h2-10,18H,11-12,17H2,1H3/t16-/m1/s1.
What are the key properties of (2R)-4-(4-aminophenyl)-2-phenylbutan-2-ol?
(2R)-4-(4-aminophenyl)-2-phenylbutan-2-ol has a molecular weight of 241.33 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(4-aminophenyl)-2-phenylbutan-2-ol is sourced from PubChem (CID 175022996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).