1-(4-aminophenyl)-2-methyl-1-phenylpropan-1-ol

C16H19NO — CID 22890028

IUPAC1-(4-aminophenyl)-2-methyl-1-phenylpropan-1-ol
SMILESCC(C)C(O)(c1ccccc1)c1ccc(N)cc1
InChIInChI=1S/C16H19NO/c1-12(2)16(18,13-6-4-3-5-7-13)14-8-10-15(17)11-9-14/h3-12,18H,17H2,1-2H3
InChIKeyZKUONUWFDCMKTO-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.16
Rot. Bonds3

About 1-(4-aminophenyl)-2-methyl-1-phenylpropan-1-ol

1-(4-aminophenyl)-2-methyl-1-phenylpropan-1-ol (PubChem CID 22890028) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-(4-aminophenyl)-2-methyl-1-phenylpropan-1-ol.

Molecular Properties

Compound Name1-(4-aminophenyl)-2-methyl-1-phenylpropan-1-ol
PubChem CID22890028
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name1-(4-aminophenyl)-2-methyl-1-phenylpropan-1-ol
SMILESCC(C)C(O)(c1ccccc1)c1ccc(N)cc1
InChIInChI=1S/C16H19NO/c1-12(2)16(18,13-6-4-3-5-7-13)14-8-10-15(17)11-9-14/h3-12,18H,17H2,1-2H3
InChIKeyZKUONUWFDCMKTO-UHFFFAOYSA-N
XLogP3.16
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.16
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-aminophenyl)-3-methylbutan-2-ol
CID 115015456
2-amino-1-(4-methylphenyl)-1-phenylpropan-1-ol
CID 19358994
2-amino-1-(4-chlorophenyl)-1-phenylpropan-1-ol;hydrochloride
CID 24834780
benzene;4-tert-butylaniline
CID 175140068
4-[(4-aminophenyl)-methoxy-phenylmethyl]aniline
CID 102249306
2-(aminomethyl)-3-methyl-1,1-diphenylbutan-1-ol
CID 3060406
aniline;2,3-dimethylbutane-2,3-diol
CID 174954079
2-hydroxy-3-methyl-2-phenylbutanal
CID 12859212
aniline;1-phenylpropane-1,1-diol
CID 159835517
aniline;ethane;2-methylpropane
CID 158321840
aniline;propan-2-amine
CID 142091845
(2R)-4-(4-aminophenyl)-2-phenylbutan-2-ol
CID 175022996

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-2-methyl-1-phenylpropan-1-ol?
The IUPAC name of 1-(4-aminophenyl)-2-methyl-1-phenylpropan-1-ol (CID 22890028) is 1-(4-aminophenyl)-2-methyl-1-phenylpropan-1-ol.
What is the SMILES notation for 1-(4-aminophenyl)-2-methyl-1-phenylpropan-1-ol?
The canonical SMILES for 1-(4-aminophenyl)-2-methyl-1-phenylpropan-1-ol is CC(C)C(O)(c1ccccc1)c1ccc(N)cc1.
What is the InChIKey of 1-(4-aminophenyl)-2-methyl-1-phenylpropan-1-ol?
The InChIKey is ZKUONUWFDCMKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-12(2)16(18,13-6-4-3-5-7-13)14-8-10-15(17)11-9-14/h3-12,18H,17H2,1-2H3.
What are the key properties of 1-(4-aminophenyl)-2-methyl-1-phenylpropan-1-ol?
1-(4-aminophenyl)-2-methyl-1-phenylpropan-1-ol has a molecular weight of 241.33 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-2-methyl-1-phenylpropan-1-ol is sourced from PubChem (CID 22890028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).