N-(3-chloro-4-methylphenyl)-1-(2,5-difluorophenyl)ethane-1,2-diamine

C15H15ClF2N2 — CID 104721773

IUPACN-(3-chloro-4-methylphenyl)-1-(2,5-difluorophenyl)ethane-1,2-diamine
SMILESCc1ccc(NC(CN)c2cc(F)ccc2F)cc1Cl
InChIInChI=1S/C15H15ClF2N2/c1-9-2-4-11(7-13(9)16)20-15(8-19)12-6-10(17)3-5-14(12)18/h2-7,15,20H,8,19H2,1H3
InChIKeyDTYKQWKEZROFNR-UHFFFAOYSA-N
MW296.75 g/mol
LogP4.04
Rot. Bonds4

About N-(3-chloro-4-methylphenyl)-1-(2,5-difluorophenyl)ethane-1,2-diamine

N-(3-chloro-4-methylphenyl)-1-(2,5-difluorophenyl)ethane-1,2-diamine (PubChem CID 104721773) has the molecular formula C15H15ClF2N2 and a molecular weight of 296.75 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-1-(2,5-difluorophenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-1-(2,5-difluorophenyl)ethane-1,2-diamine
PubChem CID104721773
Molecular FormulaC15H15ClF2N2
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC NameN-(3-chloro-4-methylphenyl)-1-(2,5-difluorophenyl)ethane-1,2-diamine
SMILESCc1ccc(NC(CN)c2cc(F)ccc2F)cc1Cl
InChIInChI=1S/C15H15ClF2N2/c1-9-2-4-11(7-13(9)16)20-15(8-19)12-6-10(17)3-5-14(12)18/h2-7,15,20H,8,19H2,1H3
InChIKeyDTYKQWKEZROFNR-UHFFFAOYSA-N
XLogP4.04
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-fluorophenyl)-N-(3-chloro-4-methylphenyl)ethane-1,2-diamine
CID 114843402
1-(2,5-difluorophenyl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 65377552
N-(3-chloro-4-methylphenyl)-1-(4-fluoro-3-methylphenyl)ethane-1,2-diamine
CID 104721816
3-chloro-N-[1-(4-fluorophenyl)propyl]-4-methylaniline
CID 43104292
N-(3-chloro-4-methylphenyl)-1-(3,4-dichlorophenyl)ethane-1,2-diamine
CID 104721774
N-(3-bromo-4-fluorophenyl)-1-(5-chloro-2-fluorophenyl)ethane-1,2-diamine
CID 114843404
3-chloro-N-[1-(2,4-dichlorophenyl)propyl]-4-methylaniline
CID 43503285
1-(3-bromophenyl)-N-(3-chloro-4-methylphenyl)ethane-1,2-diamine
CID 104721910
N-(3-chloro-4-fluorophenyl)-1-phenylethane-1,2-diamine
CID 82133663
1-(2,5-difluorophenyl)-N-(2-fluorophenyl)ethane-1,2-diamine
CID 65377111
1-(4-bromothiophen-2-yl)-N-(3-chloro-4-methylphenyl)ethane-1,2-diamine
CID 104721794
2-(2,5-difluorophenyl)-2-(2,2-dimethylhydrazinyl)ethanamine
CID 83012141

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-1-(2,5-difluorophenyl)ethane-1,2-diamine?
The IUPAC name of N-(3-chloro-4-methylphenyl)-1-(2,5-difluorophenyl)ethane-1,2-diamine (CID 104721773) is N-(3-chloro-4-methylphenyl)-1-(2,5-difluorophenyl)ethane-1,2-diamine.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-1-(2,5-difluorophenyl)ethane-1,2-diamine?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-1-(2,5-difluorophenyl)ethane-1,2-diamine is Cc1ccc(NC(CN)c2cc(F)ccc2F)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-1-(2,5-difluorophenyl)ethane-1,2-diamine?
The InChIKey is DTYKQWKEZROFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClF2N2/c1-9-2-4-11(7-13(9)16)20-15(8-19)12-6-10(17)3-5-14(12)18/h2-7,15,20H,8,19H2,1H3.
What are the key properties of N-(3-chloro-4-methylphenyl)-1-(2,5-difluorophenyl)ethane-1,2-diamine?
N-(3-chloro-4-methylphenyl)-1-(2,5-difluorophenyl)ethane-1,2-diamine has a molecular weight of 296.75 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-1-(2,5-difluorophenyl)ethane-1,2-diamine is sourced from PubChem (CID 104721773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).