(5-chloro-2-fluorophenyl)-(2,6-dimethoxyphenyl)methanamine

C15H15ClFNO2 — CID 114885870

IUPAC(5-chloro-2-fluorophenyl)-(2,6-dimethoxyphenyl)methanamine
SMILESCOc1cccc(OC)c1C(N)c1cc(Cl)ccc1F
InChIInChI=1S/C15H15ClFNO2/c1-19-12-4-3-5-13(20-2)14(12)15(18)10-8-9(16)6-7-11(10)17/h3-8,15H,18H2,1-2H3
InChIKeySCZRVOBVYRQZJC-UHFFFAOYSA-N
MW295.74 g/mol
LogP3.54
Rot. Bonds4

About (5-chloro-2-fluorophenyl)-(2,6-dimethoxyphenyl)methanamine

(5-chloro-2-fluorophenyl)-(2,6-dimethoxyphenyl)methanamine (PubChem CID 114885870) has the molecular formula C15H15ClFNO2 and a molecular weight of 295.74 g/mol. Its IUPAC name is (5-chloro-2-fluorophenyl)-(2,6-dimethoxyphenyl)methanamine.

Molecular Properties

Compound Name(5-chloro-2-fluorophenyl)-(2,6-dimethoxyphenyl)methanamine
PubChem CID114885870
Molecular FormulaC15H15ClFNO2
Molecular Weight295.74 g/mol
Exact Mass295.08
IUPAC Name(5-chloro-2-fluorophenyl)-(2,6-dimethoxyphenyl)methanamine
SMILESCOc1cccc(OC)c1C(N)c1cc(Cl)ccc1F
InChIInChI=1S/C15H15ClFNO2/c1-19-12-4-3-5-13(20-2)14(12)15(18)10-8-9(16)6-7-11(10)17/h3-8,15H,18H2,1-2H3
InChIKeySCZRVOBVYRQZJC-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

(2,6-dimethoxyphenyl)-(2,4,5-trifluorophenyl)methanamine
CID 103301943
(2-chloro-6-fluorophenyl)-(5-chloro-2-methoxyphenyl)methanamine
CID 104545797
(5-chloro-2-fluorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanamine
CID 106680991
(5-chloro-2-methoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 105024912
(2,6-dimethoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 43122398
(2,6-dimethoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 43561193
(4-bromo-5-chloro-2-fluorophenyl)-(2-fluoro-6-methoxyphenyl)methanamine
CID 105398478
(5-chloro-2-methylphenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 105024991
(5-chloro-2-methoxyphenyl)-(2-methoxyphenyl)methanamine
CID 55116277
2-[bromo-(2,5-dichlorophenyl)methyl]-1-fluoro-3-methoxybenzene
CID 65432324
(2,6-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanamine
CID 105051988
(5-chloro-2-methoxyphenyl)-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106883905

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-fluorophenyl)-(2,6-dimethoxyphenyl)methanamine?
The IUPAC name of (5-chloro-2-fluorophenyl)-(2,6-dimethoxyphenyl)methanamine (CID 114885870) is (5-chloro-2-fluorophenyl)-(2,6-dimethoxyphenyl)methanamine.
What is the SMILES notation for (5-chloro-2-fluorophenyl)-(2,6-dimethoxyphenyl)methanamine?
The canonical SMILES for (5-chloro-2-fluorophenyl)-(2,6-dimethoxyphenyl)methanamine is COc1cccc(OC)c1C(N)c1cc(Cl)ccc1F.
What is the InChIKey of (5-chloro-2-fluorophenyl)-(2,6-dimethoxyphenyl)methanamine?
The InChIKey is SCZRVOBVYRQZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO2/c1-19-12-4-3-5-13(20-2)14(12)15(18)10-8-9(16)6-7-11(10)17/h3-8,15H,18H2,1-2H3.
What are the key properties of (5-chloro-2-fluorophenyl)-(2,6-dimethoxyphenyl)methanamine?
(5-chloro-2-fluorophenyl)-(2,6-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 (5-chloro-2-fluorophenyl)-(2,6-dimethoxyphenyl)methanamine is sourced from PubChem (CID 114885870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).