(3-chloro-4-methoxyphenyl)-(2,6-difluorophenyl)methanamine

C14H12ClF2NO — CID 43130972

IUPAC(3-chloro-4-methoxyphenyl)-(2,6-difluorophenyl)methanamine
SMILESCOc1ccc(C(N)c2c(F)cccc2F)cc1Cl
InChIInChI=1S/C14H12ClF2NO/c1-19-12-6-5-8(7-9(12)15)14(18)13-10(16)3-2-4-11(13)17/h2-7,14H,18H2,1H3
InChIKeyBPAZWHALQDDFKT-UHFFFAOYSA-N
MW283.71 g/mol
LogP3.67
Rot. Bonds3

About (3-chloro-4-methoxyphenyl)-(2,6-difluorophenyl)methanamine

(3-chloro-4-methoxyphenyl)-(2,6-difluorophenyl)methanamine (PubChem CID 43130972) has the molecular formula C14H12ClF2NO and a molecular weight of 283.71 g/mol. Its IUPAC name is (3-chloro-4-methoxyphenyl)-(2,6-difluorophenyl)methanamine.

Molecular Properties

Compound Name(3-chloro-4-methoxyphenyl)-(2,6-difluorophenyl)methanamine
PubChem CID43130972
Molecular FormulaC14H12ClF2NO
Molecular Weight283.71 g/mol
Exact Mass283.06
IUPAC Name(3-chloro-4-methoxyphenyl)-(2,6-difluorophenyl)methanamine
SMILESCOc1ccc(C(N)c2c(F)cccc2F)cc1Cl
InChIInChI=1S/C14H12ClF2NO/c1-19-12-6-5-8(7-9(12)15)14(18)13-10(16)3-2-4-11(13)17/h2-7,14H,18H2,1H3
InChIKeyBPAZWHALQDDFKT-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

(3-chloro-4-methoxyphenyl)-(2,6-difluorophenyl)methanol
CID 61099841
(3-chloro-4-methoxyphenyl)-(4-fluoro-3-methylphenyl)methanamine
CID 55164032
(4-chloro-2,5-difluorophenyl)-(3-chloro-4-methoxyphenyl)methanamine
CID 82782889
(3-chloro-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanamine
CID 55162756
(2-chloro-6-fluorophenyl)-(3-chloro-4-fluorophenyl)methanamine
CID 114275177
(3-chloro-4-methoxyphenyl)-(2,5-dichlorophenyl)methanamine
CID 43131038
(2-chloro-6-fluorophenyl)-(5-chloro-2-methoxyphenyl)methanamine
CID 104545797
(3-chloro-4-iodophenyl)-(3-chloro-4-methoxyphenyl)methanamine
CID 103219970
(3-chloro-4-methoxyphenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 63047550
(2,6-difluorophenyl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 43122336
(4-chloro-3-fluorophenyl)-(3,4-dimethoxyphenyl)methanamine
CID 107992884
(3-bromo-4-chlorophenyl)-(3-chloro-4-methoxyphenyl)methanamine
CID 107998536

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methoxyphenyl)-(2,6-difluorophenyl)methanamine?
The IUPAC name of (3-chloro-4-methoxyphenyl)-(2,6-difluorophenyl)methanamine (CID 43130972) is (3-chloro-4-methoxyphenyl)-(2,6-difluorophenyl)methanamine.
What is the SMILES notation for (3-chloro-4-methoxyphenyl)-(2,6-difluorophenyl)methanamine?
The canonical SMILES for (3-chloro-4-methoxyphenyl)-(2,6-difluorophenyl)methanamine is COc1ccc(C(N)c2c(F)cccc2F)cc1Cl.
What is the InChIKey of (3-chloro-4-methoxyphenyl)-(2,6-difluorophenyl)methanamine?
The InChIKey is BPAZWHALQDDFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2NO/c1-19-12-6-5-8(7-9(12)15)14(18)13-10(16)3-2-4-11(13)17/h2-7,14H,18H2,1H3.
What are the key properties of (3-chloro-4-methoxyphenyl)-(2,6-difluorophenyl)methanamine?
(3-chloro-4-methoxyphenyl)-(2,6-difluorophenyl)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 (3-chloro-4-methoxyphenyl)-(2,6-difluorophenyl)methanamine is sourced from PubChem (CID 43130972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).