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

C16H18ClFN2 — CID 104721816

IUPACN-(3-chloro-4-methylphenyl)-1-(4-fluoro-3-methylphenyl)ethane-1,2-diamine
SMILESCc1cc(C(CN)Nc2ccc(C)c(Cl)c2)ccc1F
InChIInChI=1S/C16H18ClFN2/c1-10-3-5-13(8-14(10)17)20-16(9-19)12-4-6-15(18)11(2)7-12/h3-8,16,20H,9,19H2,1-2H3
InChIKeyHETFUSLXEOTIQN-UHFFFAOYSA-N
MW292.79 g/mol
LogP4.21
Rot. Bonds4

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

N-(3-chloro-4-methylphenyl)-1-(4-fluoro-3-methylphenyl)ethane-1,2-diamine (PubChem CID 104721816) has the molecular formula C16H18ClFN2 and a molecular weight of 292.79 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-1-(4-fluoro-3-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-1-(4-fluoro-3-methylphenyl)ethane-1,2-diamine
PubChem CID104721816
Molecular FormulaC16H18ClFN2
Molecular Weight292.79 g/mol
Exact Mass292.11
IUPAC NameN-(3-chloro-4-methylphenyl)-1-(4-fluoro-3-methylphenyl)ethane-1,2-diamine
SMILESCc1cc(C(CN)Nc2ccc(C)c(Cl)c2)ccc1F
InChIInChI=1S/C16H18ClFN2/c1-10-3-5-13(8-14(10)17)20-16(9-19)12-4-6-15(18)11(2)7-12/h3-8,16,20H,9,19H2,1-2H3
InChIKeyHETFUSLXEOTIQN-UHFFFAOYSA-N
XLogP4.21
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-methylphenyl)-1-(3,4-dichlorophenyl)ethane-1,2-diamine
CID 104721774
1-(5-chloro-2-fluorophenyl)-N-(3-chloro-4-methylphenyl)ethane-1,2-diamine
CID 114843402
1-(3-bromophenyl)-N-(3-chloro-4-methylphenyl)ethane-1,2-diamine
CID 104721910
1-(3-chloro-4-methylphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 106817471
N-(3-chloro-4-methylphenyl)-1-(2,5-difluorophenyl)ethane-1,2-diamine
CID 104721773
1-(3-chloro-4-fluorophenyl)-N-(4-chlorophenyl)ethane-1,2-diamine
CID 81145659
N-(3-chloro-4-methylphenyl)-1-[4-(methoxymethyl)phenyl]ethane-1,2-diamine
CID 104721868
N-(3-chloro-4-fluorophenyl)-1-phenylethane-1,2-diamine
CID 82133663
1-(3-chloro-4-fluorophenyl)-N-(3-methylphenyl)ethane-1,2-diamine
CID 81144777
N-(3-chloro-4-methylphenyl)-1-(3-cyclopropylphenyl)ethane-1,2-diamine
CID 104721689
N-(3-chloro-4-methylphenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethane-1,2-diamine
CID 104721726
1-(4-fluoro-3-methylphenyl)-N-(2-methylphenyl)ethane-1,2-diamine
CID 65376751

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-1-(4-fluoro-3-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N-(3-chloro-4-methylphenyl)-1-(4-fluoro-3-methylphenyl)ethane-1,2-diamine (CID 104721816) is N-(3-chloro-4-methylphenyl)-1-(4-fluoro-3-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-1-(4-fluoro-3-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-1-(4-fluoro-3-methylphenyl)ethane-1,2-diamine is Cc1cc(C(CN)Nc2ccc(C)c(Cl)c2)ccc1F.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-1-(4-fluoro-3-methylphenyl)ethane-1,2-diamine?
The InChIKey is HETFUSLXEOTIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN2/c1-10-3-5-13(8-14(10)17)20-16(9-19)12-4-6-15(18)11(2)7-12/h3-8,16,20H,9,19H2,1-2H3.
What are the key properties of N-(3-chloro-4-methylphenyl)-1-(4-fluoro-3-methylphenyl)ethane-1,2-diamine?
N-(3-chloro-4-methylphenyl)-1-(4-fluoro-3-methylphenyl)ethane-1,2-diamine has a molecular weight of 292.79 g/mol, XLogP of 4.21, 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-(4-fluoro-3-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 104721816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).