(2-amino-4-chlorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanol

C16H18ClNO2 — CID 103433130

IUPAC(2-amino-4-chlorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanol
SMILESCOc1c(C(O)c2ccc(Cl)cc2N)ccc(C)c1C
InChIInChI=1S/C16H18ClNO2/c1-9-4-6-13(16(20-3)10(9)2)15(19)12-7-5-11(17)8-14(12)18/h4-8,15,19H,18H2,1-3H3
InChIKeyXHNWQCVWRQBLIU-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.63
Rot. Bonds3

About (2-amino-4-chlorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanol

(2-amino-4-chlorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanol (PubChem CID 103433130) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is (2-amino-4-chlorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanol.

Molecular Properties

Compound Name(2-amino-4-chlorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanol
PubChem CID103433130
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name(2-amino-4-chlorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanol
SMILESCOc1c(C(O)c2ccc(Cl)cc2N)ccc(C)c1C
InChIInChI=1S/C16H18ClNO2/c1-9-4-6-13(16(20-3)10(9)2)15(19)12-7-5-11(17)8-14(12)18/h4-8,15,19H,18H2,1-3H3
InChIKeyXHNWQCVWRQBLIU-UHFFFAOYSA-N
XLogP3.63
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-chloro-2-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 103433501
(2-methoxy-3,4-dimethylphenyl)-(2,4,6-trimethylphenyl)methanol
CID 103432508
(3-bromo-4-chlorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanol
CID 103432694
(3,5-dibromophenyl)-(2-methoxy-3,4-dimethylphenyl)methanol
CID 107978788
(2-methoxy-3,4-dimethylphenyl)-(3-methoxy-4-methylphenyl)methanol
CID 103435788
(2,6-difluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanol
CID 103432506
(2-fluoro-3-methylphenyl)-(2-methoxy-3,4-dimethylphenyl)methanol
CID 103435754
(4-bromo-5-chlorothiophen-2-yl)-(2-methoxy-3,4-dimethylphenyl)methanol
CID 103432747
(3-fluoro-5-methylphenyl)-(2-methoxy-3,4-dimethylphenyl)methanol
CID 103433209
(4-chloro-2-methoxyphenyl)-(2,3-dimethylphenyl)methanol
CID 115791592
(3-chloro-2-pyridinyl)-(2-methoxy-3,4-dimethylphenyl)methanol
CID 103443462
2-(3-chlorophenoxy)-1-(2-methoxy-3,4-dimethylphenyl)ethanamine
CID 103435231

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-chlorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanol?
The IUPAC name of (2-amino-4-chlorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanol (CID 103433130) is (2-amino-4-chlorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanol.
What is the SMILES notation for (2-amino-4-chlorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanol?
The canonical SMILES for (2-amino-4-chlorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanol is COc1c(C(O)c2ccc(Cl)cc2N)ccc(C)c1C.
What is the InChIKey of (2-amino-4-chlorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanol?
The InChIKey is XHNWQCVWRQBLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-9-4-6-13(16(20-3)10(9)2)15(19)12-7-5-11(17)8-14(12)18/h4-8,15,19H,18H2,1-3H3.
What are the key properties of (2-amino-4-chlorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanol?
(2-amino-4-chlorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanol has a molecular weight of 291.78 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-chlorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanol is sourced from PubChem (CID 103433130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).