[2-(2-chloro-4-fluoro-5-methylphenyl)-4,5-dimethoxyphenyl]methanamine

C16H17ClFNO2 — CID 81047763

IUPAC[2-(2-chloro-4-fluoro-5-methylphenyl)-4,5-dimethoxyphenyl]methanamine
SMILESCOc1cc(CN)c(-c2cc(C)c(F)cc2Cl)cc1OC
InChIInChI=1S/C16H17ClFNO2/c1-9-4-12(13(17)7-14(9)18)11-6-16(21-3)15(20-2)5-10(11)8-19/h4-7H,8,19H2,1-3H3
InChIKeyWZVHLNJCEDNVEH-UHFFFAOYSA-N
MW309.77 g/mol
LogP3.93
Rot. Bonds4

About [2-(2-chloro-4-fluoro-5-methylphenyl)-4,5-dimethoxyphenyl]methanamine

[2-(2-chloro-4-fluoro-5-methylphenyl)-4,5-dimethoxyphenyl]methanamine (PubChem CID 81047763) has the molecular formula C16H17ClFNO2 and a molecular weight of 309.77 g/mol. Its IUPAC name is [2-(2-chloro-4-fluoro-5-methylphenyl)-4,5-dimethoxyphenyl]methanamine.

Molecular Properties

Compound Name[2-(2-chloro-4-fluoro-5-methylphenyl)-4,5-dimethoxyphenyl]methanamine
PubChem CID81047763
Molecular FormulaC16H17ClFNO2
Molecular Weight309.77 g/mol
Exact Mass309.09
IUPAC Name[2-(2-chloro-4-fluoro-5-methylphenyl)-4,5-dimethoxyphenyl]methanamine
SMILESCOc1cc(CN)c(-c2cc(C)c(F)cc2Cl)cc1OC
InChIInChI=1S/C16H17ClFNO2/c1-9-4-12(13(17)7-14(9)18)11-6-16(21-3)15(20-2)5-10(11)8-19/h4-7H,8,19H2,1-3H3
InChIKeyWZVHLNJCEDNVEH-UHFFFAOYSA-N
XLogP3.93
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-chloro-4,5-difluorophenyl)-4,5-dimethoxyphenyl]methanamine
CID 107476915
[2-(2-fluoro-4,6-dimethylphenyl)-4,5-dimethoxyphenyl]methanamine
CID 106882238
[4,5-dimethoxy-2-(2,4,6-trichlorophenyl)phenyl]methanamine
CID 105350062
[2-(4-chlorophenyl)-4,5-dimethoxyphenyl]methanamine
CID 54911492
[4,5-dimethoxy-2-(3,4,5-trifluorophenyl)phenyl]methanamine
CID 61241607
[2-(2,3-dimethylphenyl)-4,5-dimethoxyphenyl]methanamine
CID 62548525
[2-(3-fluoro-4-pyridinyl)-4,5-dimethoxyphenyl]methanamine
CID 104738859
[5-(2-chloro-4,5-dimethylphenyl)-2-methoxyphenyl]methanamine
CID 115484396
(5-chloro-4-methoxy-2-methylphenyl)methanamine
CID 82281020
(2-chloro-4-methoxy-5-methylphenyl)methanamine
CID 57458151
(4-bromo-2-chloro-5-methoxyphenyl)methanamine
CID 83900433
2-(5-fluoro-2-methoxy-4-methylphenyl)ethanamine
CID 55254656

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloro-4-fluoro-5-methylphenyl)-4,5-dimethoxyphenyl]methanamine?
The IUPAC name of [2-(2-chloro-4-fluoro-5-methylphenyl)-4,5-dimethoxyphenyl]methanamine (CID 81047763) is [2-(2-chloro-4-fluoro-5-methylphenyl)-4,5-dimethoxyphenyl]methanamine.
What is the SMILES notation for [2-(2-chloro-4-fluoro-5-methylphenyl)-4,5-dimethoxyphenyl]methanamine?
The canonical SMILES for [2-(2-chloro-4-fluoro-5-methylphenyl)-4,5-dimethoxyphenyl]methanamine is COc1cc(CN)c(-c2cc(C)c(F)cc2Cl)cc1OC.
What is the InChIKey of [2-(2-chloro-4-fluoro-5-methylphenyl)-4,5-dimethoxyphenyl]methanamine?
The InChIKey is WZVHLNJCEDNVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO2/c1-9-4-12(13(17)7-14(9)18)11-6-16(21-3)15(20-2)5-10(11)8-19/h4-7H,8,19H2,1-3H3.
What are the key properties of [2-(2-chloro-4-fluoro-5-methylphenyl)-4,5-dimethoxyphenyl]methanamine?
[2-(2-chloro-4-fluoro-5-methylphenyl)-4,5-dimethoxyphenyl]methanamine has a molecular weight of 309.77 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloro-4-fluoro-5-methylphenyl)-4,5-dimethoxyphenyl]methanamine is sourced from PubChem (CID 81047763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).