(R)-(3-amino-4-methylphenyl)-(3,4-dimethylphenyl)methanol

C16H19NO — CID 100804028

IUPAC(R)-(3-amino-4-methylphenyl)-(3,4-dimethylphenyl)methanol
SMILESCc1ccc([C@@H](O)c2ccc(C)c(N)c2)cc1C
InChIInChI=1S/C16H19NO/c1-10-4-6-13(8-12(10)3)16(18)14-7-5-11(2)15(17)9-14/h4-9,16,18H,17H2,1-3H3/t16-/m1/s1
InChIKeyXNKWPYPITAXZLK-MRXNPFEDSA-N
MW241.33 g/mol
LogP3.28
Rot. Bonds2

About (R)-(3-amino-4-methylphenyl)-(3,4-dimethylphenyl)methanol

(R)-(3-amino-4-methylphenyl)-(3,4-dimethylphenyl)methanol (PubChem CID 100804028) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is (R)-(3-amino-4-methylphenyl)-(3,4-dimethylphenyl)methanol.

Molecular Properties

Compound Name(R)-(3-amino-4-methylphenyl)-(3,4-dimethylphenyl)methanol
PubChem CID100804028
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name(R)-(3-amino-4-methylphenyl)-(3,4-dimethylphenyl)methanol
SMILESCc1ccc([C@@H](O)c2ccc(C)c(N)c2)cc1C
InChIInChI=1S/C16H19NO/c1-10-4-6-13(8-12(10)3)16(18)14-7-5-11(2)15(17)9-14/h4-9,16,18H,17H2,1-3H3/t16-/m1/s1
InChIKeyXNKWPYPITAXZLK-MRXNPFEDSA-N
XLogP3.28
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.28
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

(R)-(4-amino-3-methylphenyl)-(3,4-dimethylphenyl)methanol
CID 100804122
(S)-(3-amino-4-methylphenyl)-(4-phenylphenyl)methanol
CID 100804158
(1R)-1-(3-amino-4-methylphenyl)-2-bromoethanol
CID 59964195
(R)-(3,4-dimethylphenyl)-(4-phenylphenyl)methanol
CID 100803935
(4-amino-3-methylphenyl)-(4-propan-2-ylphenyl)methanol
CID 91678464
2-methyl-5-propan-2-ylaniline;hydrochloride
CID 70565459
(S)-(3-amino-4-methylphenyl)-naphthalen-1-ylmethanol
CID 100804217
(3,4-dimethylphenyl)-(5-fluoro-3-pyridinyl)methanol
CID 63893392
(4-butan-2-ylphenyl)-(3,4-dimethylphenyl)methanol
CID 63426275
(3,4-dimethylphenyl)-(5-methylthiophen-3-yl)methanol
CID 65100079
(3,4-dimethylphenyl)-(1H-pyrrol-3-yl)methanol
CID 63749459
5-(1-fluoroethyl)-2-methylaniline
CID 84649805

Frequently Asked Questions

What is the IUPAC name of (R)-(3-amino-4-methylphenyl)-(3,4-dimethylphenyl)methanol?
The IUPAC name of (R)-(3-amino-4-methylphenyl)-(3,4-dimethylphenyl)methanol (CID 100804028) is (R)-(3-amino-4-methylphenyl)-(3,4-dimethylphenyl)methanol.
What is the SMILES notation for (R)-(3-amino-4-methylphenyl)-(3,4-dimethylphenyl)methanol?
The canonical SMILES for (R)-(3-amino-4-methylphenyl)-(3,4-dimethylphenyl)methanol is Cc1ccc([C@@H](O)c2ccc(C)c(N)c2)cc1C.
What is the InChIKey of (R)-(3-amino-4-methylphenyl)-(3,4-dimethylphenyl)methanol?
The InChIKey is XNKWPYPITAXZLK-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H19NO/c1-10-4-6-13(8-12(10)3)16(18)14-7-5-11(2)15(17)9-14/h4-9,16,18H,17H2,1-3H3/t16-/m1/s1.
What are the key properties of (R)-(3-amino-4-methylphenyl)-(3,4-dimethylphenyl)methanol?
(R)-(3-amino-4-methylphenyl)-(3,4-dimethylphenyl)methanol has a molecular weight of 241.33 g/mol, XLogP of 3.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(3-amino-4-methylphenyl)-(3,4-dimethylphenyl)methanol is sourced from PubChem (CID 100804028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).