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

C17H29FN2 — CID 62121838

IUPACN-ethyl-N-(2-ethylbutyl)-1-(4-fluoro-3-methylphenyl)ethane-1,2-diamine
SMILESCCC(CC)CN(CC)C(CN)c1ccc(F)c(C)c1
InChIInChI=1S/C17H29FN2/c1-5-14(6-2)12-20(7-3)17(11-19)15-8-9-16(18)13(4)10-15/h8-10,14,17H,5-7,11-12,19H2,1-4H3
InChIKeyYCPUKBKDSIUHLZ-UHFFFAOYSA-N
MW280.43 g/mol
LogP3.89
Rot. Bonds8

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

N-ethyl-N-(2-ethylbutyl)-1-(4-fluoro-3-methylphenyl)ethane-1,2-diamine (PubChem CID 62121838) has the molecular formula C17H29FN2 and a molecular weight of 280.43 g/mol. Its IUPAC name is N-ethyl-N-(2-ethylbutyl)-1-(4-fluoro-3-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-N-(2-ethylbutyl)-1-(4-fluoro-3-methylphenyl)ethane-1,2-diamine
PubChem CID62121838
Molecular FormulaC17H29FN2
Molecular Weight280.43 g/mol
Exact Mass280.23
IUPAC NameN-ethyl-N-(2-ethylbutyl)-1-(4-fluoro-3-methylphenyl)ethane-1,2-diamine
SMILESCCC(CC)CN(CC)C(CN)c1ccc(F)c(C)c1
InChIInChI=1S/C17H29FN2/c1-5-14(6-2)12-20(7-3)17(11-19)15-8-9-16(18)13(4)10-15/h8-10,14,17H,5-7,11-12,19H2,1-4H3
InChIKeyYCPUKBKDSIUHLZ-UHFFFAOYSA-N
XLogP3.89
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.43
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-3-fluorophenyl)-N-ethyl-N-(2-ethylbutyl)ethane-1,2-diamine
CID 81436639
1-(5-bromo-2-fluorophenyl)-N-ethyl-N-(2-ethylbutyl)ethane-1,2-diamine
CID 63472138
N-ethyl-1-(4-fluoro-3-methylphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 62121848
1-(3,4-dimethylphenyl)-N,N-diethylethane-1,2-diamine
CID 43753439
N-ethyl-N-(2-ethylbutyl)-1-(4-methoxyphenyl)ethane-1,2-diamine
CID 61437202
1-(4-fluoro-3-methylphenyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 62120803
1-(3-chloro-4-fluorophenyl)-N,N-diethylethane-1,2-diamine
CID 81145758
1-(4-ethoxyphenyl)-N-ethyl-N-(2-ethylbutyl)ethane-1,2-diamine
CID 61437255
1-(4-fluoro-3-methylphenyl)-N-methyl-N-phenylethane-1,2-diamine
CID 62121476
1-(2,3-dimethylphenyl)-N-ethyl-N-(2-ethylbutyl)ethane-1,2-diamine
CID 63471957
N-ethyl-1-(3-fluoro-4-methylphenyl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 63647577
1-(3-chloro-4-methylphenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 106817259

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-ethylbutyl)-1-(4-fluoro-3-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N-ethyl-N-(2-ethylbutyl)-1-(4-fluoro-3-methylphenyl)ethane-1,2-diamine (CID 62121838) is N-ethyl-N-(2-ethylbutyl)-1-(4-fluoro-3-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-ethyl-N-(2-ethylbutyl)-1-(4-fluoro-3-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N-ethyl-N-(2-ethylbutyl)-1-(4-fluoro-3-methylphenyl)ethane-1,2-diamine is CCC(CC)CN(CC)C(CN)c1ccc(F)c(C)c1.
What is the InChIKey of N-ethyl-N-(2-ethylbutyl)-1-(4-fluoro-3-methylphenyl)ethane-1,2-diamine?
The InChIKey is YCPUKBKDSIUHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29FN2/c1-5-14(6-2)12-20(7-3)17(11-19)15-8-9-16(18)13(4)10-15/h8-10,14,17H,5-7,11-12,19H2,1-4H3.
What are the key properties of N-ethyl-N-(2-ethylbutyl)-1-(4-fluoro-3-methylphenyl)ethane-1,2-diamine?
N-ethyl-N-(2-ethylbutyl)-1-(4-fluoro-3-methylphenyl)ethane-1,2-diamine has a molecular weight of 280.43 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-ethylbutyl)-1-(4-fluoro-3-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 62121838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).