(4-chloro-2-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanamine

C16H17ClFNO2 — CID 43626661

IUPAC(4-chloro-2-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanamine
SMILESCOc1cc(C)c(C(N)c2ccc(Cl)cc2F)cc1OC
InChIInChI=1S/C16H17ClFNO2/c1-9-6-14(20-2)15(21-3)8-12(9)16(19)11-5-4-10(17)7-13(11)18/h4-8,16H,19H2,1-3H3
InChIKeyYJOKNFQYNYDRJG-UHFFFAOYSA-N
MW309.77 g/mol
LogP3.85
Rot. Bonds4

About (4-chloro-2-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanamine

(4-chloro-2-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanamine (PubChem CID 43626661) has the molecular formula C16H17ClFNO2 and a molecular weight of 309.77 g/mol. Its IUPAC name is (4-chloro-2-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanamine.

Molecular Properties

Compound Name(4-chloro-2-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanamine
PubChem CID43626661
Molecular FormulaC16H17ClFNO2
Molecular Weight309.77 g/mol
Exact Mass309.09
IUPAC Name(4-chloro-2-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanamine
SMILESCOc1cc(C)c(C(N)c2ccc(Cl)cc2F)cc1OC
InChIInChI=1S/C16H17ClFNO2/c1-9-6-14(20-2)15(21-3)8-12(9)16(19)11-5-4-10(17)7-13(11)18/h4-8,16H,19H2,1-3H3
InChIKeyYJOKNFQYNYDRJG-UHFFFAOYSA-N
XLogP3.85
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 ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-chloro-2-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-chloro-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 62865509
(4,5-dimethoxy-2-methylphenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 62514648
(4-chloro-2-fluorophenyl)-(2,4-dimethoxyphenyl)methanamine
CID 43197289
(4-chloro-2-fluorophenyl)-(2,5-dimethoxyphenyl)methanamine
CID 43197230
(4-chloro-2-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 103433501
(5-chloro-2-methylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 82883895
(2-bromo-4-chlorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 107995034
(4-chloro-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanamine
CID 107513337
(2-chloro-4-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 106861063
(4-chloro-2-methylphenyl)-(2,4-difluorophenyl)methanamine
CID 114027936
(2,4-difluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 62867795
(2-fluoro-4,5-dimethoxyphenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 63048771

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanamine?
The IUPAC name of (4-chloro-2-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanamine (CID 43626661) is (4-chloro-2-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanamine.
What is the SMILES notation for (4-chloro-2-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanamine?
The canonical SMILES for (4-chloro-2-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanamine is COc1cc(C)c(C(N)c2ccc(Cl)cc2F)cc1OC.
What is the InChIKey of (4-chloro-2-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanamine?
The InChIKey is YJOKNFQYNYDRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO2/c1-9-6-14(20-2)15(21-3)8-12(9)16(19)11-5-4-10(17)7-13(11)18/h4-8,16H,19H2,1-3H3.
What are the key properties of (4-chloro-2-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanamine?
(4-chloro-2-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanamine has a molecular weight of 309.77 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanamine is sourced from PubChem (CID 43626661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).