(2-chlorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanamine

C14H12ClF2NO — CID 54880557

IUPAC(2-chlorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanamine
SMILESCOc1cc(F)c(C(N)c2ccccc2Cl)c(F)c1
InChIInChI=1S/C14H12ClF2NO/c1-19-8-6-11(16)13(12(17)7-8)14(18)9-4-2-3-5-10(9)15/h2-7,14H,18H2,1H3
InChIKeyDUNWDPONZZCJDS-UHFFFAOYSA-N
MW283.71 g/mol
LogP3.67
Rot. Bonds3

About (2-chlorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanamine

(2-chlorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanamine (PubChem CID 54880557) has the molecular formula C14H12ClF2NO and a molecular weight of 283.71 g/mol. Its IUPAC name is (2-chlorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(2-chlorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanamine
PubChem CID54880557
Molecular FormulaC14H12ClF2NO
Molecular Weight283.71 g/mol
Exact Mass283.06
IUPAC Name(2-chlorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanamine
SMILESCOc1cc(F)c(C(N)c2ccccc2Cl)c(F)c1
InChIInChI=1S/C14H12ClF2NO/c1-19-8-6-11(16)13(12(17)7-8)14(18)9-4-2-3-5-10(9)15/h2-7,14H,18H2,1H3
InChIKeyDUNWDPONZZCJDS-UHFFFAOYSA-N
XLogP3.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.71
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chlorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanol
CID 61100473
(2-chlorophenyl)-(2,5-dimethoxyphenyl)methanamine
CID 43197194
(2,6-difluoro-4-methoxyphenyl)-(4-propan-2-ylphenyl)methanamine
CID 60964329
(2,6-difluoro-4-methoxyphenyl)-(2,4-dimethylphenyl)methanamine
CID 60964479
(2-chlorophenyl)-(3-methoxyphenyl)methanamine;hydrochloride
CID 54595163
1-(2,3-dichlorophenyl)-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine
CID 60966548
(3-chloro-2-methylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 107096474
2-[(2-chlorophenyl)-(2,4,6-trimethoxyphenyl)methyl]-1,3,5-trimethoxybenzene
CID 46896091
(2,4-dichlorophenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 43561229
(2,6-difluoro-4-methoxyphenyl)-(2,5-dimethylfuran-3-yl)methanamine
CID 54880487
(2-chloro-6-fluorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanol
CID 61099448
(2-chloro-6-fluorophenyl)-(5-chloro-2-methoxyphenyl)methanamine
CID 104545797

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanamine?
The IUPAC name of (2-chlorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanamine (CID 54880557) is (2-chlorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanamine.
What is the SMILES notation for (2-chlorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanamine?
The canonical SMILES for (2-chlorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanamine is COc1cc(F)c(C(N)c2ccccc2Cl)c(F)c1.
What is the InChIKey of (2-chlorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanamine?
The InChIKey is DUNWDPONZZCJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2NO/c1-19-8-6-11(16)13(12(17)7-8)14(18)9-4-2-3-5-10(9)15/h2-7,14H,18H2,1H3.
What are the key properties of (2-chlorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanamine?
(2-chlorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanamine has a molecular weight of 283.71 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanamine is sourced from PubChem (CID 54880557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).