(3,4-dichlorophenyl)-(2-fluoro-4-methoxyphenyl)methanamine

C14H12Cl2FNO — CID 43561221

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

About (3,4-dichlorophenyl)-(2-fluoro-4-methoxyphenyl)methanamine

(3,4-dichlorophenyl)-(2-fluoro-4-methoxyphenyl)methanamine (PubChem CID 43561221) has the molecular formula C14H12Cl2FNO and a molecular weight of 300.16 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-(2-fluoro-4-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-(2-fluoro-4-methoxyphenyl)methanamine
PubChem CID43561221
Molecular FormulaC14H12Cl2FNO
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC Name(3,4-dichlorophenyl)-(2-fluoro-4-methoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2ccc(Cl)c(Cl)c2)c(F)c1
InChIInChI=1S/C14H12Cl2FNO/c1-19-9-3-4-10(13(17)7-9)14(18)8-2-5-11(15)12(16)6-8/h2-7,14H,18H2,1H3
InChIKeyLGODLZUCYHPMQF-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

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Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-(2-fluoro-4-methoxyphenyl)methanamine?
The IUPAC name of (3,4-dichlorophenyl)-(2-fluoro-4-methoxyphenyl)methanamine (CID 43561221) is (3,4-dichlorophenyl)-(2-fluoro-4-methoxyphenyl)methanamine.
What is the SMILES notation for (3,4-dichlorophenyl)-(2-fluoro-4-methoxyphenyl)methanamine?
The canonical SMILES for (3,4-dichlorophenyl)-(2-fluoro-4-methoxyphenyl)methanamine is COc1ccc(C(N)c2ccc(Cl)c(Cl)c2)c(F)c1.
What is the InChIKey of (3,4-dichlorophenyl)-(2-fluoro-4-methoxyphenyl)methanamine?
The InChIKey is LGODLZUCYHPMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2FNO/c1-19-9-3-4-10(13(17)7-9)14(18)8-2-5-11(15)12(16)6-8/h2-7,14H,18H2,1H3.
What are the key properties of (3,4-dichlorophenyl)-(2-fluoro-4-methoxyphenyl)methanamine?
(3,4-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 (3,4-dichlorophenyl)-(2-fluoro-4-methoxyphenyl)methanamine is sourced from PubChem (CID 43561221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).