1-(2-chloro-5-fluorophenyl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine

C15H24ClFN2 — CID 105395177

IUPAC1-(2-chloro-5-fluorophenyl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine
SMILESCCC(CC)(C(NC)c1cc(F)ccc1Cl)N(C)C
InChIInChI=1S/C15H24ClFN2/c1-6-15(7-2,19(4)5)14(18-3)12-10-11(17)8-9-13(12)16/h8-10,14,18H,6-7H2,1-5H3
InChIKeyPPWVBYZIQDKZSD-UHFFFAOYSA-N
MW286.82 g/mol
LogP3.86
Rot. Bonds6

About 1-(2-chloro-5-fluorophenyl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine

1-(2-chloro-5-fluorophenyl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine (PubChem CID 105395177) has the molecular formula C15H24ClFN2 and a molecular weight of 286.82 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine
PubChem CID105395177
Molecular FormulaC15H24ClFN2
Molecular Weight286.82 g/mol
Exact Mass286.16
IUPAC Name1-(2-chloro-5-fluorophenyl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine
SMILESCCC(CC)(C(NC)c1cc(F)ccc1Cl)N(C)C
InChIInChI=1S/C15H24ClFN2/c1-6-15(7-2,19(4)5)14(18-3)12-10-11(17)8-9-13(12)16/h8-10,14,18H,6-7H2,1-5H3
InChIKeyPPWVBYZIQDKZSD-UHFFFAOYSA-N
XLogP3.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.82
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-1-(4-fluorophenyl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine
CID 79062004
1-(3,4-dichlorophenyl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine
CID 79061036
2-ethyl-1-(2-methoxyphenyl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine
CID 79060890
1-(2-chloro-5-fluorophenyl)-2-ethyl-N-methylbutan-1-amine
CID 105397290
2-(azepan-1-yl)-1-(2-chloro-5-fluorophenyl)-N,2-dimethylpropan-1-amine
CID 105395162
[1-(2-chloro-5-fluorophenyl)-2,2-dimethylpropyl]hydrazine
CID 105397762
2-ethyl-1-N,2-N,2-N-trimethyl-1-(4-methylphenyl)butane-1,2-diamine
CID 79061588
1-(2-chloro-5-fluorophenyl)-N-methyl-2-methylsulfanylethanamine
CID 105394877
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine
CID 114656892
1-(2-chloro-5-fluorophenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine
CID 105394908
1-(2-chloro-5-fluorophenyl)-2-ethylbutan-1-amine
CID 105397485
2-ethyl-1-(2-ethylpyrazol-3-yl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine
CID 79061729

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine (CID 105395177) is 1-(2-chloro-5-fluorophenyl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine is CCC(CC)(C(NC)c1cc(F)ccc1Cl)N(C)C.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine?
The InChIKey is PPWVBYZIQDKZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClFN2/c1-6-15(7-2,19(4)5)14(18-3)12-10-11(17)8-9-13(12)16/h8-10,14,18H,6-7H2,1-5H3.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine?
1-(2-chloro-5-fluorophenyl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine has a molecular weight of 286.82 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine is sourced from PubChem (CID 105395177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).