(3-chloro-4-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanamine

C14H12Cl2FNO — CID 82875491

IUPAC(3-chloro-4-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2ccc(F)c(Cl)c2)c(Cl)c1
InChIInChI=1S/C14H12Cl2FNO/c1-19-9-3-4-10(11(15)7-9)14(18)8-2-5-13(17)12(16)6-8/h2-7,14H,18H2,1H3
InChIKeyUVDGNGRQVPZOEA-UHFFFAOYSA-N
MW300.16 g/mol
LogP4.19
Rot. Bonds3

About (3-chloro-4-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanamine

(3-chloro-4-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanamine (PubChem CID 82875491) has the molecular formula C14H12Cl2FNO and a molecular weight of 300.16 g/mol. Its IUPAC name is (3-chloro-4-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(3-chloro-4-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanamine
PubChem CID82875491
Molecular FormulaC14H12Cl2FNO
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC Name(3-chloro-4-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2ccc(F)c(Cl)c2)c(Cl)c1
InChIInChI=1S/C14H12Cl2FNO/c1-19-9-3-4-10(11(15)7-9)14(18)8-2-5-13(17)12(16)6-8/h2-7,14H,18H2,1H3
InChIKeyUVDGNGRQVPZOEA-UHFFFAOYSA-N
XLogP4.19
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3-chloro-4-fluorophenyl)-(2-chloro-4-methoxyphenyl)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

(3-chloro-4-fluorophenyl)-(2,5-dimethoxyphenyl)methanamine
CID 63093313
(3-chloro-4-iodophenyl)-(2-chloro-4-methoxyphenyl)methanamine
CID 103220223
(2,4-dichlorophenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 43561229
1,3-benzodioxol-5-yl-(2-chloro-4-methoxyphenyl)methanamine
CID 43561827
(2-bromo-4-methoxyphenyl)-(3,4-dichlorophenyl)methanamine
CID 60788475
2-chloro-1-[chloro-(3,4-difluorophenyl)methyl]-4-methoxybenzene
CID 63434674
(2-chloro-4-methylphenyl)-(4-methoxyphenyl)methanamine
CID 106856981
(2-chloro-4-methoxyphenyl)methanediamine
CID 116939187
1-[bromo-(3,4-difluorophenyl)methyl]-2-chloro-4-methoxybenzene
CID 63443486
2-chloro-1-[chloro-(4-chlorophenyl)methyl]-4-methoxybenzene
CID 63434290
(4-bromo-2-chlorophenyl)-(4-methoxyphenyl)methanamine
CID 43805138
1-[bromo-(4-fluoro-3-methylphenyl)methyl]-2-chloro-4-methoxybenzene
CID 63442538

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanamine?
The IUPAC name of (3-chloro-4-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanamine (CID 82875491) is (3-chloro-4-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanamine.
What is the SMILES notation for (3-chloro-4-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanamine?
The canonical SMILES for (3-chloro-4-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanamine is COc1ccc(C(N)c2ccc(F)c(Cl)c2)c(Cl)c1.
What is the InChIKey of (3-chloro-4-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanamine?
The InChIKey is UVDGNGRQVPZOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2FNO/c1-19-9-3-4-10(11(15)7-9)14(18)8-2-5-13(17)12(16)6-8/h2-7,14H,18H2,1H3.
What are the key properties of (3-chloro-4-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanamine?
(3-chloro-4-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanamine has a molecular weight of 300.16 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanamine is sourced from PubChem (CID 82875491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).