(2,4-difluorophenyl)-(4-fluoro-3-methoxyphenyl)methanamine

C14H12F3NO — CID 81283015

IUPAC(2,4-difluorophenyl)-(4-fluoro-3-methoxyphenyl)methanamine
SMILESCOc1cc(C(N)c2ccc(F)cc2F)ccc1F
InChIInChI=1S/C14H12F3NO/c1-19-13-6-8(2-5-11(13)16)14(18)10-4-3-9(15)7-12(10)17/h2-7,14H,18H2,1H3
InChIKeyZQAPNZZITLFMEI-UHFFFAOYSA-N
MW267.25 g/mol
LogP3.16
Rot. Bonds3

About (2,4-difluorophenyl)-(4-fluoro-3-methoxyphenyl)methanamine

(2,4-difluorophenyl)-(4-fluoro-3-methoxyphenyl)methanamine (PubChem CID 81283015) has the molecular formula C14H12F3NO and a molecular weight of 267.25 g/mol. Its IUPAC name is (2,4-difluorophenyl)-(4-fluoro-3-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(2,4-difluorophenyl)-(4-fluoro-3-methoxyphenyl)methanamine
PubChem CID81283015
Molecular FormulaC14H12F3NO
Molecular Weight267.25 g/mol
Exact Mass267.09
IUPAC Name(2,4-difluorophenyl)-(4-fluoro-3-methoxyphenyl)methanamine
SMILESCOc1cc(C(N)c2ccc(F)cc2F)ccc1F
InChIInChI=1S/C14H12F3NO/c1-19-13-6-8(2-5-11(13)16)14(18)10-4-3-9(15)7-12(10)17/h2-7,14H,18H2,1H3
InChIKeyZQAPNZZITLFMEI-UHFFFAOYSA-N
XLogP3.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-fluoro-3-methoxyphenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 115851839
(2,4-difluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 62867795
(4-fluoro-3-methoxyphenyl)-(3-fluoro-4-pyridinyl)methanamine
CID 105038146
(5-fluoro-1-benzofuran-2-yl)-(4-fluoro-3-methoxyphenyl)methanamine
CID 105046046
(2,4-difluorophenyl)-(2-methoxy-4-methylphenyl)methanamine
CID 106791413
(2,5-dibromophenyl)-(4-fluoro-3-methoxyphenyl)methanamine
CID 81283090
(2,5-dichlorothiophen-3-yl)-(4-fluoro-3-methoxyphenyl)methanamine
CID 81283519
(4-fluoro-3-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanamine
CID 81283664
(4-fluoro-3-methoxyphenyl)-(2-propoxyphenyl)methanamine
CID 105035771
(3,4-dimethoxyphenyl)-(2-fluorophenyl)methanamine
CID 24688761
(3-bromo-4-ethoxyphenyl)-(2,4-difluorophenyl)methanamine
CID 104657273
(3-chlorophenyl)-(2,4-difluorophenyl)methanamine
CID 43197760

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-(4-fluoro-3-methoxyphenyl)methanamine?
The IUPAC name of (2,4-difluorophenyl)-(4-fluoro-3-methoxyphenyl)methanamine (CID 81283015) is (2,4-difluorophenyl)-(4-fluoro-3-methoxyphenyl)methanamine.
What is the SMILES notation for (2,4-difluorophenyl)-(4-fluoro-3-methoxyphenyl)methanamine?
The canonical SMILES for (2,4-difluorophenyl)-(4-fluoro-3-methoxyphenyl)methanamine is COc1cc(C(N)c2ccc(F)cc2F)ccc1F.
What is the InChIKey of (2,4-difluorophenyl)-(4-fluoro-3-methoxyphenyl)methanamine?
The InChIKey is ZQAPNZZITLFMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO/c1-19-13-6-8(2-5-11(13)16)14(18)10-4-3-9(15)7-12(10)17/h2-7,14H,18H2,1H3.
What are the key properties of (2,4-difluorophenyl)-(4-fluoro-3-methoxyphenyl)methanamine?
(2,4-difluorophenyl)-(4-fluoro-3-methoxyphenyl)methanamine has a molecular weight of 267.25 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-(4-fluoro-3-methoxyphenyl)methanamine is sourced from PubChem (CID 81283015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).