(4-chloro-2-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine

C16H17ClFNO — CID 103433501

IUPAC(4-chloro-2-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
SMILESCOc1c(C(N)c2ccc(Cl)cc2F)ccc(C)c1C
InChIInChI=1S/C16H17ClFNO/c1-9-4-6-13(16(20-3)10(9)2)15(19)12-7-5-11(17)8-14(12)18/h4-8,15H,19H2,1-3H3
InChIKeyKZMROBHQOQNUCG-UHFFFAOYSA-N
MW293.77 g/mol
LogP4.15
Rot. Bonds3

About (4-chloro-2-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine

(4-chloro-2-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine (PubChem CID 103433501) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is (4-chloro-2-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(4-chloro-2-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
PubChem CID103433501
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC Name(4-chloro-2-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
SMILESCOc1c(C(N)c2ccc(Cl)cc2F)ccc(C)c1C
InChIInChI=1S/C16H17ClFNO/c1-9-4-6-13(16(20-3)10(9)2)15(19)12-7-5-11(17)8-14(12)18/h4-8,15H,19H2,1-3H3
InChIKeyKZMROBHQOQNUCG-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

(4-chloro-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanamine
CID 107513337
(4-chloro-2-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanamine
CID 43626661
(2-chloro-4-methylphenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 106858983
(5-chloro-2-methylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 82883895
(4-bromo-2-chlorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 103435334
(4-chloro-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 62865509
(3-fluoro-5-methylphenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 103433807
(4-chloro-2-fluorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine
CID 43107900
(2-amino-4-chlorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanol
CID 103433130
(4-chloro-2-fluorophenyl)-(2,4-dimethoxyphenyl)methanamine
CID 43197289
(2-bromo-4-methoxyphenyl)-(4-chloro-2-fluorophenyl)methanamine
CID 60786954
(4-chloro-2-fluorophenyl)-(3,5-dimethylphenyl)methanamine
CID 63081418

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine?
The IUPAC name of (4-chloro-2-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine (CID 103433501) is (4-chloro-2-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine.
What is the SMILES notation for (4-chloro-2-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine?
The canonical SMILES for (4-chloro-2-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine is COc1c(C(N)c2ccc(Cl)cc2F)ccc(C)c1C.
What is the InChIKey of (4-chloro-2-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine?
The InChIKey is KZMROBHQOQNUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO/c1-9-4-6-13(16(20-3)10(9)2)15(19)12-7-5-11(17)8-14(12)18/h4-8,15H,19H2,1-3H3.
What are the key properties of (4-chloro-2-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine?
(4-chloro-2-fluorophenyl)-(2-methoxy-3,4-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 (4-chloro-2-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine is sourced from PubChem (CID 103433501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).