(4-chloro-2,5-difluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine

C14H11ClF3NO — CID 105024829

IUPAC(4-chloro-2,5-difluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
SMILESCOc1cccc(C(N)c2cc(F)c(Cl)cc2F)c1F
InChIInChI=1S/C14H11ClF3NO/c1-20-12-4-2-3-7(13(12)18)14(19)8-5-11(17)9(15)6-10(8)16/h2-6,14H,19H2,1H3
InChIKeyQQYYPNLYGYDMEM-UHFFFAOYSA-N
MW301.70 g/mol
LogP3.81
Rot. Bonds3

About (4-chloro-2,5-difluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine

(4-chloro-2,5-difluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine (PubChem CID 105024829) has the molecular formula C14H11ClF3NO and a molecular weight of 301.70 g/mol. Its IUPAC name is (4-chloro-2,5-difluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(4-chloro-2,5-difluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
PubChem CID105024829
Molecular FormulaC14H11ClF3NO
Molecular Weight301.70 g/mol
Exact Mass301.05
IUPAC Name(4-chloro-2,5-difluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
SMILESCOc1cccc(C(N)c2cc(F)c(Cl)cc2F)c1F
InChIInChI=1S/C14H11ClF3NO/c1-20-12-4-2-3-7(13(12)18)14(19)8-5-11(17)9(15)6-10(8)16/h2-6,14H,19H2,1H3
InChIKeyQQYYPNLYGYDMEM-UHFFFAOYSA-N
XLogP3.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.70
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(3-chloro-2-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 82808026
(5-chloro-2-methoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 105024912
(4-chloro-3-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 107994800
(3-chloro-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 81265393
(2-fluoro-3-methoxyphenyl)-(2-methoxyphenyl)methanamine
CID 82808424
(5-chloro-2-methylphenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 105024991
(3-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 82808205
(4-bromo-2-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 105024957
(4-chloro-2,5-difluorophenyl)-(2-propan-2-yloxyphenyl)methanamine
CID 105018161
(4-bromo-2-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 114906146
(4-chloro-2,5-difluorophenyl)-(2,3-dichlorophenyl)methanamine
CID 115851173
(4-chloro-2,5-difluorophenyl)-(3-chloro-4-methoxyphenyl)methanamine
CID 82782889

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2,5-difluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine?
The IUPAC name of (4-chloro-2,5-difluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine (CID 105024829) is (4-chloro-2,5-difluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine.
What is the SMILES notation for (4-chloro-2,5-difluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine?
The canonical SMILES for (4-chloro-2,5-difluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine is COc1cccc(C(N)c2cc(F)c(Cl)cc2F)c1F.
What is the InChIKey of (4-chloro-2,5-difluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine?
The InChIKey is QQYYPNLYGYDMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3NO/c1-20-12-4-2-3-7(13(12)18)14(19)8-5-11(17)9(15)6-10(8)16/h2-6,14H,19H2,1H3.
What are the key properties of (4-chloro-2,5-difluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine?
(4-chloro-2,5-difluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine has a molecular weight of 301.70 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2,5-difluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine is sourced from PubChem (CID 105024829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).