2-ethyl-1-(4-fluorophenyl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine

C15H25FN2 — CID 79062004

IUPAC2-ethyl-1-(4-fluorophenyl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine
SMILESCCC(CC)(C(NC)c1ccc(F)cc1)N(C)C
InChIInChI=1S/C15H25FN2/c1-6-15(7-2,18(4)5)14(17-3)12-8-10-13(16)11-9-12/h8-11,14,17H,6-7H2,1-5H3
InChIKeyLNMRCCOPXGNWBK-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.21
Rot. Bonds6

About 2-ethyl-1-(4-fluorophenyl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine

2-ethyl-1-(4-fluorophenyl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine (PubChem CID 79062004) has the molecular formula C15H25FN2 and a molecular weight of 252.38 g/mol. Its IUPAC name is 2-ethyl-1-(4-fluorophenyl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine.

Molecular Properties

Compound Name2-ethyl-1-(4-fluorophenyl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine
PubChem CID79062004
Molecular FormulaC15H25FN2
Molecular Weight252.38 g/mol
Exact Mass252.20
IUPAC Name2-ethyl-1-(4-fluorophenyl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine
SMILESCCC(CC)(C(NC)c1ccc(F)cc1)N(C)C
InChIInChI=1S/C15H25FN2/c1-6-15(7-2,18(4)5)14(17-3)12-8-10-13(16)11-9-12/h8-11,14,17H,6-7H2,1-5H3
InChIKeyLNMRCCOPXGNWBK-UHFFFAOYSA-N
XLogP3.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-1-N,2-N,2-N-trimethyl-1-(4-methylphenyl)butane-1,2-diamine
CID 79061588
1-(2-chloro-5-fluorophenyl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine
CID 105395177
1-(3,4-dichlorophenyl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine
CID 79061036
2-ethyl-1-(4-fluorophenyl)-2-N,2-N-dimethylbutane-1,2-diamine
CID 79061366
2-ethyl-1-N,2-N,2-N-trimethyl-1-naphthalen-2-ylbutane-1,2-diamine
CID 79058618
1-(4-cyclopropyloxyphenyl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine
CID 114519571
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine
CID 79058631
3-[hydrazinyl-[4-(trifluoromethyl)phenyl]methyl]-N,N-dimethylpentan-3-amine
CID 105241879
2-ethyl-1-(2-methoxyphenyl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine
CID 79060890
2-N,2-N,2-triethyl-1-(4-fluoro-3-methylphenyl)-1-N-methylbutane-1,2-diamine
CID 79059901
1-(3,4-difluorophenyl)-2-ethyl-2-N,2-N-dimethyl-1-N-propylbutane-1,2-diamine
CID 79059100
1-(3,4-difluorophenyl)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine
CID 79063885

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(4-fluorophenyl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine?
The IUPAC name of 2-ethyl-1-(4-fluorophenyl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine (CID 79062004) is 2-ethyl-1-(4-fluorophenyl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine.
What is the SMILES notation for 2-ethyl-1-(4-fluorophenyl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine?
The canonical SMILES for 2-ethyl-1-(4-fluorophenyl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine is CCC(CC)(C(NC)c1ccc(F)cc1)N(C)C.
What is the InChIKey of 2-ethyl-1-(4-fluorophenyl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine?
The InChIKey is LNMRCCOPXGNWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2/c1-6-15(7-2,18(4)5)14(17-3)12-8-10-13(16)11-9-12/h8-11,14,17H,6-7H2,1-5H3.
What are the key properties of 2-ethyl-1-(4-fluorophenyl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine?
2-ethyl-1-(4-fluorophenyl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine has a molecular weight of 252.38 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(4-fluorophenyl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine is sourced from PubChem (CID 79062004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).