1-N-(5-chloro-2-methoxyphenyl)-2-(difluoromethyl)benzene-1,4-diamine

C14H13ClF2N2O — CID 63750079

IUPAC1-N-(5-chloro-2-methoxyphenyl)-2-(difluoromethyl)benzene-1,4-diamine
SMILESCOc1ccc(Cl)cc1Nc1ccc(N)cc1C(F)F
InChIInChI=1S/C14H13ClF2N2O/c1-20-13-5-2-8(15)6-12(13)19-11-4-3-9(18)7-10(11)14(16)17/h2-7,14,19H,18H2,1H3
InChIKeyARCFADGURSASKZ-UHFFFAOYSA-N
MW298.72 g/mol
LogP4.61
Rot. Bonds4

About 1-N-(5-chloro-2-methoxyphenyl)-2-(difluoromethyl)benzene-1,4-diamine

1-N-(5-chloro-2-methoxyphenyl)-2-(difluoromethyl)benzene-1,4-diamine (PubChem CID 63750079) has the molecular formula C14H13ClF2N2O and a molecular weight of 298.72 g/mol. Its IUPAC name is 1-N-(5-chloro-2-methoxyphenyl)-2-(difluoromethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(5-chloro-2-methoxyphenyl)-2-(difluoromethyl)benzene-1,4-diamine
PubChem CID63750079
Molecular FormulaC14H13ClF2N2O
Molecular Weight298.72 g/mol
Exact Mass298.07
IUPAC Name1-N-(5-chloro-2-methoxyphenyl)-2-(difluoromethyl)benzene-1,4-diamine
SMILESCOc1ccc(Cl)cc1Nc1ccc(N)cc1C(F)F
InChIInChI=1S/C14H13ClF2N2O/c1-20-13-5-2-8(15)6-12(13)19-11-4-3-9(18)7-10(11)14(16)17/h2-7,14,19H,18H2,1H3
InChIKeyARCFADGURSASKZ-UHFFFAOYSA-N
XLogP4.61
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.72
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-(4-bromo-3-methoxyphenyl)-2-(difluoromethyl)benzene-1,4-diamine
CID 82858182
1-N-(3-chloro-4-fluorophenyl)-2-(difluoromethyl)benzene-1,4-diamine
CID 63750431
5-chloro-2-methoxy-N-(2-methoxyphenyl)aniline
CID 10264756
1-N-(5-chloro-2-methoxyphenyl)-4-fluoro-5-methylbenzene-1,2-diamine
CID 103589872
4-(5-chloro-2-methoxyanilino)-2,3-difluorobenzenecarbothioamide
CID 107934397
1-N-(2,6-dichlorophenyl)-2-(difluoromethyl)benzene-1,4-diamine
CID 65469470
3-N-(5-chloro-2-methoxyphenyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80727041
2-(difluoromethyl)-1-N-(4-fluoro-3-methylphenyl)benzene-1,4-diamine
CID 63735827
2-(difluoromethyl)-1-N-(2,6-difluorophenyl)benzene-1,4-diamine
CID 63748294
5-chloro-N-(2-chlorophenyl)-2-methoxyaniline
CID 82536966
2-N-(5-chloro-2-methoxyphenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80763444
3-N-(5-chloro-2-methoxyphenyl)pyrazine-2,3-diamine
CID 102985025

Frequently Asked Questions

What is the IUPAC name of 1-N-(5-chloro-2-methoxyphenyl)-2-(difluoromethyl)benzene-1,4-diamine?
The IUPAC name of 1-N-(5-chloro-2-methoxyphenyl)-2-(difluoromethyl)benzene-1,4-diamine (CID 63750079) is 1-N-(5-chloro-2-methoxyphenyl)-2-(difluoromethyl)benzene-1,4-diamine.
What is the SMILES notation for 1-N-(5-chloro-2-methoxyphenyl)-2-(difluoromethyl)benzene-1,4-diamine?
The canonical SMILES for 1-N-(5-chloro-2-methoxyphenyl)-2-(difluoromethyl)benzene-1,4-diamine is COc1ccc(Cl)cc1Nc1ccc(N)cc1C(F)F.
What is the InChIKey of 1-N-(5-chloro-2-methoxyphenyl)-2-(difluoromethyl)benzene-1,4-diamine?
The InChIKey is ARCFADGURSASKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF2N2O/c1-20-13-5-2-8(15)6-12(13)19-11-4-3-9(18)7-10(11)14(16)17/h2-7,14,19H,18H2,1H3.
What are the key properties of 1-N-(5-chloro-2-methoxyphenyl)-2-(difluoromethyl)benzene-1,4-diamine?
1-N-(5-chloro-2-methoxyphenyl)-2-(difluoromethyl)benzene-1,4-diamine has a molecular weight of 298.72 g/mol, XLogP of 4.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(5-chloro-2-methoxyphenyl)-2-(difluoromethyl)benzene-1,4-diamine is sourced from PubChem (CID 63750079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).