(5-chloro-2-methoxyphenyl)-(2-fluoro-4,6-dimethylphenyl)methanamine

C16H17ClFNO — CID 106883905

IUPAC(5-chloro-2-methoxyphenyl)-(2-fluoro-4,6-dimethylphenyl)methanamine
SMILESCOc1ccc(Cl)cc1C(N)c1c(C)cc(C)cc1F
InChIInChI=1S/C16H17ClFNO/c1-9-6-10(2)15(13(18)7-9)16(19)12-8-11(17)4-5-14(12)20-3/h4-8,16H,19H2,1-3H3
InChIKeyKERHXMOPWGWTLA-UHFFFAOYSA-N
MW293.77 g/mol
LogP4.15
Rot. Bonds3

About (5-chloro-2-methoxyphenyl)-(2-fluoro-4,6-dimethylphenyl)methanamine

(5-chloro-2-methoxyphenyl)-(2-fluoro-4,6-dimethylphenyl)methanamine (PubChem CID 106883905) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)-(2-fluoro-4,6-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)-(2-fluoro-4,6-dimethylphenyl)methanamine
PubChem CID106883905
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC Name(5-chloro-2-methoxyphenyl)-(2-fluoro-4,6-dimethylphenyl)methanamine
SMILESCOc1ccc(Cl)cc1C(N)c1c(C)cc(C)cc1F
InChIInChI=1S/C16H17ClFNO/c1-9-6-10(2)15(13(18)7-9)16(19)12-8-11(17)4-5-14(12)20-3/h4-8,16H,19H2,1-3H3
InChIKeyKERHXMOPWGWTLA-UHFFFAOYSA-N
XLogP4.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chloro-2-fluorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanamine
CID 106680991
(2-chloro-6-fluorophenyl)-(5-chloro-2-methoxyphenyl)methanamine
CID 104545797
(3-bromo-2,6-difluorophenyl)-(5-chloro-2-methoxyphenyl)methanamine
CID 106944890
(2-chloro-3-methylphenyl)-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106883863
(5-chloro-2-methoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 105024912
(5-chloro-2-methoxyphenyl)-(2-methoxyphenyl)methanamine
CID 55116277
(5-chloro-2-fluorophenyl)-(2,6-dimethoxyphenyl)methanamine
CID 114885870
(5-chloro-2-methoxyphenyl)-(4-fluoro-2,6-dimethylphenyl)methanol
CID 106879586
(2,5-difluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106881519
(2-fluoro-4,6-dimethylphenyl)-(2,3,4-trifluorophenyl)methanamine
CID 106883591
(2-fluoro-4,6-dimethylphenyl)-(2-methoxy-3-pyridinyl)methanamine
CID 106883912
(2-chloro-6-fluorophenyl)-(2-methoxy-5-methylphenyl)methanamine
CID 43626075

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)-(2-fluoro-4,6-dimethylphenyl)methanamine?
The IUPAC name of (5-chloro-2-methoxyphenyl)-(2-fluoro-4,6-dimethylphenyl)methanamine (CID 106883905) is (5-chloro-2-methoxyphenyl)-(2-fluoro-4,6-dimethylphenyl)methanamine.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)-(2-fluoro-4,6-dimethylphenyl)methanamine?
The canonical SMILES for (5-chloro-2-methoxyphenyl)-(2-fluoro-4,6-dimethylphenyl)methanamine is COc1ccc(Cl)cc1C(N)c1c(C)cc(C)cc1F.
What is the InChIKey of (5-chloro-2-methoxyphenyl)-(2-fluoro-4,6-dimethylphenyl)methanamine?
The InChIKey is KERHXMOPWGWTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO/c1-9-6-10(2)15(13(18)7-9)16(19)12-8-11(17)4-5-14(12)20-3/h4-8,16H,19H2,1-3H3.
What are the key properties of (5-chloro-2-methoxyphenyl)-(2-fluoro-4,6-dimethylphenyl)methanamine?
(5-chloro-2-methoxyphenyl)-(2-fluoro-4,6-dimethylphenyl)methanamine has a molecular weight of 293.77 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)-(2-fluoro-4,6-dimethylphenyl)methanamine is sourced from PubChem (CID 106883905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).