N-(3-chloro-5-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethane-1,2-diamine

C15H15ClF2N2O — CID 107364475

IUPACN-(3-chloro-5-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethane-1,2-diamine
SMILESCOc1ccc(C(CN)Nc2cc(F)cc(Cl)c2)cc1F
InChIInChI=1S/C15H15ClF2N2O/c1-21-15-3-2-9(4-13(15)18)14(8-19)20-12-6-10(16)5-11(17)7-12/h2-7,14,20H,8,19H2,1H3
InChIKeyFDVOMEFXPKJCBZ-UHFFFAOYSA-N
MW312.75 g/mol
LogP3.74
Rot. Bonds5

About N-(3-chloro-5-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethane-1,2-diamine

N-(3-chloro-5-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethane-1,2-diamine (PubChem CID 107364475) has the molecular formula C15H15ClF2N2O and a molecular weight of 312.75 g/mol. Its IUPAC name is N-(3-chloro-5-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-chloro-5-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethane-1,2-diamine
PubChem CID107364475
Molecular FormulaC15H15ClF2N2O
Molecular Weight312.75 g/mol
Exact Mass312.08
IUPAC NameN-(3-chloro-5-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethane-1,2-diamine
SMILESCOc1ccc(C(CN)Nc2cc(F)cc(Cl)c2)cc1F
InChIInChI=1S/C15H15ClF2N2O/c1-21-15-3-2-9(4-13(15)18)14(8-19)20-12-6-10(16)5-11(17)7-12/h2-7,14,20H,8,19H2,1H3
InChIKeyFDVOMEFXPKJCBZ-UHFFFAOYSA-N
XLogP3.74
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.75
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-5-fluorophenyl)-1-(3,4,5-trifluorophenyl)ethane-1,2-diamine
CID 107364470
N-(3-chloro-5-fluorophenyl)-1-(3-chlorophenyl)ethane-1,2-diamine
CID 107364593
N-(3-bromophenyl)-1-(3-fluoro-4-methoxyphenyl)ethane-1,2-diamine
CID 65378731
N-(3-fluorophenyl)-1-(4-methoxy-3-methylphenyl)ethane-1,2-diamine
CID 65385518
N-[(1S)-1-(3,4-difluorophenyl)-2-methoxyethyl]-3,5-difluoroaniline
CID 97306802
N-(3-chloro-5-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethane-1,2-diamine
CID 107364594
N-(3-chloro-5-fluorophenyl)-1-(2,6-dimethylphenyl)ethane-1,2-diamine
CID 107364552
N-butan-2-yl-1-(3-fluoro-4-methoxyphenyl)ethane-1,2-diamine
CID 65383483
N-(3-chloro-5-fluorophenyl)-1-(2-chlorophenyl)ethane-1,2-diamine
CID 107364606
N-(3-chloro-5-fluorophenyl)-1-(2-ethylphenyl)ethane-1,2-diamine
CID 107364446
1-(3-chloro-4-fluorophenyl)-N-(4-chlorophenyl)ethane-1,2-diamine
CID 81145659
1-(4-bromo-3-fluorophenyl)-N-(4-chlorophenyl)ethane-1,2-diamine
CID 81436862

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-5-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethane-1,2-diamine?
The IUPAC name of N-(3-chloro-5-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethane-1,2-diamine (CID 107364475) is N-(3-chloro-5-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-(3-chloro-5-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N-(3-chloro-5-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethane-1,2-diamine is COc1ccc(C(CN)Nc2cc(F)cc(Cl)c2)cc1F.
What is the InChIKey of N-(3-chloro-5-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethane-1,2-diamine?
The InChIKey is FDVOMEFXPKJCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClF2N2O/c1-21-15-3-2-9(4-13(15)18)14(8-19)20-12-6-10(16)5-11(17)7-12/h2-7,14,20H,8,19H2,1H3.
What are the key properties of N-(3-chloro-5-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethane-1,2-diamine?
N-(3-chloro-5-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethane-1,2-diamine has a molecular weight of 312.75 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-5-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 107364475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).