N-(2-chloro-5-fluorophenyl)-1-(4-ethylphenyl)ethane-1,2-diamine

C16H18ClFN2 — CID 107527972

IUPACN-(2-chloro-5-fluorophenyl)-1-(4-ethylphenyl)ethane-1,2-diamine
SMILESCCc1ccc(C(CN)Nc2cc(F)ccc2Cl)cc1
InChIInChI=1S/C16H18ClFN2/c1-2-11-3-5-12(6-4-11)16(10-19)20-15-9-13(18)7-8-14(15)17/h3-9,16,20H,2,10,19H2,1H3
InChIKeyQULSGMBBCIEGMO-UHFFFAOYSA-N
MW292.79 g/mol
LogP4.15
Rot. Bonds5

About N-(2-chloro-5-fluorophenyl)-1-(4-ethylphenyl)ethane-1,2-diamine

N-(2-chloro-5-fluorophenyl)-1-(4-ethylphenyl)ethane-1,2-diamine (PubChem CID 107527972) has the molecular formula C16H18ClFN2 and a molecular weight of 292.79 g/mol. Its IUPAC name is N-(2-chloro-5-fluorophenyl)-1-(4-ethylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-chloro-5-fluorophenyl)-1-(4-ethylphenyl)ethane-1,2-diamine
PubChem CID107527972
Molecular FormulaC16H18ClFN2
Molecular Weight292.79 g/mol
Exact Mass292.11
IUPAC NameN-(2-chloro-5-fluorophenyl)-1-(4-ethylphenyl)ethane-1,2-diamine
SMILESCCc1ccc(C(CN)Nc2cc(F)ccc2Cl)cc1
InChIInChI=1S/C16H18ClFN2/c1-2-11-3-5-12(6-4-11)16(10-19)20-15-9-13(18)7-8-14(15)17/h3-9,16,20H,2,10,19H2,1H3
InChIKeyQULSGMBBCIEGMO-UHFFFAOYSA-N
XLogP4.15
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-fluorophenyl)-1-(4-ethylphenyl)ethane-1,2-diamine?
The IUPAC name of N-(2-chloro-5-fluorophenyl)-1-(4-ethylphenyl)ethane-1,2-diamine (CID 107527972) is N-(2-chloro-5-fluorophenyl)-1-(4-ethylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-(2-chloro-5-fluorophenyl)-1-(4-ethylphenyl)ethane-1,2-diamine?
The canonical SMILES for N-(2-chloro-5-fluorophenyl)-1-(4-ethylphenyl)ethane-1,2-diamine is CCc1ccc(C(CN)Nc2cc(F)ccc2Cl)cc1.
What is the InChIKey of N-(2-chloro-5-fluorophenyl)-1-(4-ethylphenyl)ethane-1,2-diamine?
The InChIKey is QULSGMBBCIEGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN2/c1-2-11-3-5-12(6-4-11)16(10-19)20-15-9-13(18)7-8-14(15)17/h3-9,16,20H,2,10,19H2,1H3.
What are the key properties of N-(2-chloro-5-fluorophenyl)-1-(4-ethylphenyl)ethane-1,2-diamine?
N-(2-chloro-5-fluorophenyl)-1-(4-ethylphenyl)ethane-1,2-diamine has a molecular weight of 292.79 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-fluorophenyl)-1-(4-ethylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 107527972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).