(2,4-dichlorophenyl)-(2-fluoro-4-methoxyphenyl)methanamine

C14H12Cl2FNO — CID 43561229

IUPAC(2,4-dichlorophenyl)-(2-fluoro-4-methoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2ccc(Cl)cc2Cl)c(F)c1
InChIInChI=1S/C14H12Cl2FNO/c1-19-9-3-5-11(13(17)7-9)14(18)10-4-2-8(15)6-12(10)16/h2-7,14H,18H2,1H3
InChIKeySHDSYDNLHDOQOH-UHFFFAOYSA-N
MW300.16 g/mol
LogP4.19
Rot. Bonds3

About (2,4-dichlorophenyl)-(2-fluoro-4-methoxyphenyl)methanamine

(2,4-dichlorophenyl)-(2-fluoro-4-methoxyphenyl)methanamine (PubChem CID 43561229) has the molecular formula C14H12Cl2FNO and a molecular weight of 300.16 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-(2-fluoro-4-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-(2-fluoro-4-methoxyphenyl)methanamine
PubChem CID43561229
Molecular FormulaC14H12Cl2FNO
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC Name(2,4-dichlorophenyl)-(2-fluoro-4-methoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2ccc(Cl)cc2Cl)c(F)c1
InChIInChI=1S/C14H12Cl2FNO/c1-19-9-3-5-11(13(17)7-9)14(18)10-4-2-8(15)6-12(10)16/h2-7,14H,18H2,1H3
InChIKeySHDSYDNLHDOQOH-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 (2,4-dichlorophenyl)-(2-fluoro-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

(5-chloro-2-methylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 82883895
(2-bromo-4-methoxyphenyl)-(4-chloro-2-fluorophenyl)methanamine
CID 60786954
(4-chloro-2-fluorophenyl)-(2,4-dimethoxyphenyl)methanamine
CID 43197289
(4-chloro-2-fluorophenyl)-(2,5-dimethoxyphenyl)methanamine
CID 43197230
(3-chloro-2-methylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 107096474
(3-chloro-4-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanamine
CID 82875491
(2,5-difluoro-4-methylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 102882947
(2,4-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 43561246
(2-fluoro-4-methoxyphenyl)-phenylmethanamine
CID 43561220
(4-chloro-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 62865509
(2,5-dichlorophenyl)-(2,4-dimethoxyphenyl)methanamine
CID 43093792
(1R)-2,2-difluoro-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 130665860

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-(2-fluoro-4-methoxyphenyl)methanamine?
The IUPAC name of (2,4-dichlorophenyl)-(2-fluoro-4-methoxyphenyl)methanamine (CID 43561229) is (2,4-dichlorophenyl)-(2-fluoro-4-methoxyphenyl)methanamine.
What is the SMILES notation for (2,4-dichlorophenyl)-(2-fluoro-4-methoxyphenyl)methanamine?
The canonical SMILES for (2,4-dichlorophenyl)-(2-fluoro-4-methoxyphenyl)methanamine is COc1ccc(C(N)c2ccc(Cl)cc2Cl)c(F)c1.
What is the InChIKey of (2,4-dichlorophenyl)-(2-fluoro-4-methoxyphenyl)methanamine?
The InChIKey is SHDSYDNLHDOQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2FNO/c1-19-9-3-5-11(13(17)7-9)14(18)10-4-2-8(15)6-12(10)16/h2-7,14H,18H2,1H3.
What are the key properties of (2,4-dichlorophenyl)-(2-fluoro-4-methoxyphenyl)methanamine?
(2,4-dichlorophenyl)-(2-fluoro-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 (2,4-dichlorophenyl)-(2-fluoro-4-methoxyphenyl)methanamine is sourced from PubChem (CID 43561229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).