(2-chloro-6-fluorophenyl)-(2-methoxy-5-methylphenyl)methanamine

C15H15ClFNO — CID 43626075

IUPAC(2-chloro-6-fluorophenyl)-(2-methoxy-5-methylphenyl)methanamine
SMILESCOc1ccc(C)cc1C(N)c1c(F)cccc1Cl
InChIInChI=1S/C15H15ClFNO/c1-9-6-7-13(19-2)10(8-9)15(18)14-11(16)4-3-5-12(14)17/h3-8,15H,18H2,1-2H3
InChIKeyNWIRVOXZAFSAOT-UHFFFAOYSA-N
MW279.74 g/mol
LogP3.84
Rot. Bonds3

About (2-chloro-6-fluorophenyl)-(2-methoxy-5-methylphenyl)methanamine

(2-chloro-6-fluorophenyl)-(2-methoxy-5-methylphenyl)methanamine (PubChem CID 43626075) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)-(2-methoxy-5-methylphenyl)methanamine.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)-(2-methoxy-5-methylphenyl)methanamine
PubChem CID43626075
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name(2-chloro-6-fluorophenyl)-(2-methoxy-5-methylphenyl)methanamine
SMILESCOc1ccc(C)cc1C(N)c1c(F)cccc1Cl
InChIInChI=1S/C15H15ClFNO/c1-9-6-7-13(19-2)10(8-9)15(18)14-11(16)4-3-5-12(14)17/h3-8,15H,18H2,1-2H3
InChIKeyNWIRVOXZAFSAOT-UHFFFAOYSA-N
XLogP3.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.74
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chloro-6-fluorophenyl)-(5-chloro-2-methoxyphenyl)methanamine
CID 104545797
(2-fluoro-6-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanamine
CID 65434780
(2-chloro-4,5-dimethoxyphenyl)-(2-chloro-6-fluorophenyl)methanamine
CID 43330575
(2,6-dimethoxyphenyl)-(2-methoxy-5-methylphenyl)methanamine
CID 43626072
(2,6-difluorophenyl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 43122336
(2,6-difluorophenyl)-(2-ethoxy-5-methylphenyl)methanamine
CID 62302991
(2-chloro-6-fluorophenyl)-(2-methylphenyl)methanamine
CID 82087273
(2-chloro-6-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanol
CID 104817103
(3-fluoro-4-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanamine
CID 62505966
(5-chloro-2-methoxyphenyl)-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106883905
(3-chloro-4-methoxyphenyl)-(2,6-difluorophenyl)methanamine
CID 43130972
(2-chloro-6-fluorophenyl)-(2-iodo-3-methylphenyl)methanamine
CID 114275416

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)-(2-methoxy-5-methylphenyl)methanamine?
The IUPAC name of (2-chloro-6-fluorophenyl)-(2-methoxy-5-methylphenyl)methanamine (CID 43626075) is (2-chloro-6-fluorophenyl)-(2-methoxy-5-methylphenyl)methanamine.
What is the SMILES notation for (2-chloro-6-fluorophenyl)-(2-methoxy-5-methylphenyl)methanamine?
The canonical SMILES for (2-chloro-6-fluorophenyl)-(2-methoxy-5-methylphenyl)methanamine is COc1ccc(C)cc1C(N)c1c(F)cccc1Cl.
What is the InChIKey of (2-chloro-6-fluorophenyl)-(2-methoxy-5-methylphenyl)methanamine?
The InChIKey is NWIRVOXZAFSAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c1-9-6-7-13(19-2)10(8-9)15(18)14-11(16)4-3-5-12(14)17/h3-8,15H,18H2,1-2H3.
What are the key properties of (2-chloro-6-fluorophenyl)-(2-methoxy-5-methylphenyl)methanamine?
(2-chloro-6-fluorophenyl)-(2-methoxy-5-methylphenyl)methanamine has a molecular weight of 279.74 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)-(2-methoxy-5-methylphenyl)methanamine is sourced from PubChem (CID 43626075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).