(3-chloro-4-fluorophenyl)-(2,5-dimethoxyphenyl)methanamine

C15H15ClFNO2 — CID 63093313

IUPAC(3-chloro-4-fluorophenyl)-(2,5-dimethoxyphenyl)methanamine
SMILESCOc1ccc(OC)c(C(N)c2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C15H15ClFNO2/c1-19-10-4-6-14(20-2)11(8-10)15(18)9-3-5-13(17)12(16)7-9/h3-8,15H,18H2,1-2H3
InChIKeyMBLQPRMWPZOSMR-UHFFFAOYSA-N
MW295.74 g/mol
LogP3.54
Rot. Bonds4

About (3-chloro-4-fluorophenyl)-(2,5-dimethoxyphenyl)methanamine

(3-chloro-4-fluorophenyl)-(2,5-dimethoxyphenyl)methanamine (PubChem CID 63093313) has the molecular formula C15H15ClFNO2 and a molecular weight of 295.74 g/mol. Its IUPAC name is (3-chloro-4-fluorophenyl)-(2,5-dimethoxyphenyl)methanamine.

Molecular Properties

Compound Name(3-chloro-4-fluorophenyl)-(2,5-dimethoxyphenyl)methanamine
PubChem CID63093313
Molecular FormulaC15H15ClFNO2
Molecular Weight295.74 g/mol
Exact Mass295.08
IUPAC Name(3-chloro-4-fluorophenyl)-(2,5-dimethoxyphenyl)methanamine
SMILESCOc1ccc(OC)c(C(N)c2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C15H15ClFNO2/c1-19-10-4-6-14(20-2)11(8-10)15(18)9-3-5-13(17)12(16)7-9/h3-8,15H,18H2,1-2H3
InChIKeyMBLQPRMWPZOSMR-UHFFFAOYSA-N
XLogP3.54
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.74
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chloro-4-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanamine
CID 82875491
(2,5-dimethoxyphenyl)-(4-methoxyphenyl)methanamine
CID 43197203
(4-chloro-2-fluorophenyl)-(2,5-dimethoxyphenyl)methanamine
CID 43197230
(4-chloro-2,5-difluorophenyl)-(3-chloro-4-methoxyphenyl)methanamine
CID 82782889
(4-bromo-3-fluorophenyl)-(5-chloro-2-methoxyphenyl)methanamine
CID 104545787
(2-chlorophenyl)-(2,5-dimethoxyphenyl)methanamine
CID 43197194
(2,5-dimethoxyphenyl)-(4-iodophenyl)methanamine
CID 43124868
(5-fluoro-2-methoxyphenyl)-(4-methoxyphenyl)methanamine
CID 43122364
(2,5-dichlorophenyl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 43474122
(R)-(5-chloro-2-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171251371
(3-chloro-4-methoxyphenyl)-(2,5-dichlorophenyl)methanamine
CID 43131038
(3-bromo-4-chlorophenyl)-(5-chloro-2-methoxyphenyl)methanamine
CID 115566906

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-fluorophenyl)-(2,5-dimethoxyphenyl)methanamine?
The IUPAC name of (3-chloro-4-fluorophenyl)-(2,5-dimethoxyphenyl)methanamine (CID 63093313) is (3-chloro-4-fluorophenyl)-(2,5-dimethoxyphenyl)methanamine.
What is the SMILES notation for (3-chloro-4-fluorophenyl)-(2,5-dimethoxyphenyl)methanamine?
The canonical SMILES for (3-chloro-4-fluorophenyl)-(2,5-dimethoxyphenyl)methanamine is COc1ccc(OC)c(C(N)c2ccc(F)c(Cl)c2)c1.
What is the InChIKey of (3-chloro-4-fluorophenyl)-(2,5-dimethoxyphenyl)methanamine?
The InChIKey is MBLQPRMWPZOSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO2/c1-19-10-4-6-14(20-2)11(8-10)15(18)9-3-5-13(17)12(16)7-9/h3-8,15H,18H2,1-2H3.
What are the key properties of (3-chloro-4-fluorophenyl)-(2,5-dimethoxyphenyl)methanamine?
(3-chloro-4-fluorophenyl)-(2,5-dimethoxyphenyl)methanamine has a molecular weight of 295.74 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-fluorophenyl)-(2,5-dimethoxyphenyl)methanamine is sourced from PubChem (CID 63093313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).