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

C14H11Cl2F2NO — CID 82782889

IUPAC(4-chloro-2,5-difluorophenyl)-(3-chloro-4-methoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2cc(F)c(Cl)cc2F)cc1Cl
InChIInChI=1S/C14H11Cl2F2NO/c1-20-13-3-2-7(4-10(13)16)14(19)8-5-12(18)9(15)6-11(8)17/h2-6,14H,19H2,1H3
InChIKeyFBJUUBIXSPBEFU-UHFFFAOYSA-N
MW318.15 g/mol
LogP4.33
Rot. Bonds3

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

(4-chloro-2,5-difluorophenyl)-(3-chloro-4-methoxyphenyl)methanamine (PubChem CID 82782889) has the molecular formula C14H11Cl2F2NO and a molecular weight of 318.15 g/mol. Its IUPAC name is (4-chloro-2,5-difluorophenyl)-(3-chloro-4-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(4-chloro-2,5-difluorophenyl)-(3-chloro-4-methoxyphenyl)methanamine
PubChem CID82782889
Molecular FormulaC14H11Cl2F2NO
Molecular Weight318.15 g/mol
Exact Mass317.02
IUPAC Name(4-chloro-2,5-difluorophenyl)-(3-chloro-4-methoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2cc(F)c(Cl)cc2F)cc1Cl
InChIInChI=1S/C14H11Cl2F2NO/c1-20-13-3-2-7(4-10(13)16)14(19)8-5-12(18)9(15)6-11(8)17/h2-6,14H,19H2,1H3
InChIKeyFBJUUBIXSPBEFU-UHFFFAOYSA-N
XLogP4.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.15
LogP ≤ 54.33
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

(4-chloro-2,5-difluorophenyl)-(3-chloro-4-methoxyphenyl)methanol
CID 82772510
(3-chloro-4-methoxyphenyl)-(2,5-dichlorophenyl)methanamine
CID 43131038
(3-chloro-4-methoxyphenyl)-(4-fluoro-3-methylphenyl)methanamine
CID 55164032
(3-chloro-4-methoxyphenyl)-(2,6-difluorophenyl)methanamine
CID 43130972
(3-chloro-4-methoxyphenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 63047550
(3-chloro-4-fluorophenyl)-(2,5-dimethoxyphenyl)methanamine
CID 63093313
(4-chloro-2,5-difluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 105024829
(4-chloro-3-fluorophenyl)-(2-methoxyphenyl)methanamine
CID 107991958
(4-chloro-3-fluorophenyl)-(3,4-dimethoxyphenyl)methanamine
CID 107992884
(2,5-dichlorophenyl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 43474122
(3-chloro-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanamine
CID 55162756
(3-bromo-4-methoxyphenyl)-(5-chloro-2-fluorophenyl)methanamine
CID 43131063

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2,5-difluorophenyl)-(3-chloro-4-methoxyphenyl)methanamine?
The IUPAC name of (4-chloro-2,5-difluorophenyl)-(3-chloro-4-methoxyphenyl)methanamine (CID 82782889) is (4-chloro-2,5-difluorophenyl)-(3-chloro-4-methoxyphenyl)methanamine.
What is the SMILES notation for (4-chloro-2,5-difluorophenyl)-(3-chloro-4-methoxyphenyl)methanamine?
The canonical SMILES for (4-chloro-2,5-difluorophenyl)-(3-chloro-4-methoxyphenyl)methanamine is COc1ccc(C(N)c2cc(F)c(Cl)cc2F)cc1Cl.
What is the InChIKey of (4-chloro-2,5-difluorophenyl)-(3-chloro-4-methoxyphenyl)methanamine?
The InChIKey is FBJUUBIXSPBEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2F2NO/c1-20-13-3-2-7(4-10(13)16)14(19)8-5-12(18)9(15)6-11(8)17/h2-6,14H,19H2,1H3.
What are the key properties of (4-chloro-2,5-difluorophenyl)-(3-chloro-4-methoxyphenyl)methanamine?
(4-chloro-2,5-difluorophenyl)-(3-chloro-4-methoxyphenyl)methanamine has a molecular weight of 318.15 g/mol, XLogP of 4.33, 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)-(3-chloro-4-methoxyphenyl)methanamine is sourced from PubChem (CID 82782889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).