2-N,2-N,2-triethyl-1-(4-fluoro-3-methylphenyl)butane-1,2-diamine

C17H29FN2 — CID 79061789

IUPAC2-N,2-N,2-triethyl-1-(4-fluoro-3-methylphenyl)butane-1,2-diamine
SMILESCCN(CC)C(CC)(CC)C(N)c1ccc(F)c(C)c1
InChIInChI=1S/C17H29FN2/c1-6-17(7-2,20(8-3)9-4)16(19)14-10-11-15(18)13(5)12-14/h10-12,16H,6-9,19H2,1-5H3
InChIKeyHLRNUOLQUGWBJI-UHFFFAOYSA-N
MW280.43 g/mol
LogP4.03
Rot. Bonds7

About 2-N,2-N,2-triethyl-1-(4-fluoro-3-methylphenyl)butane-1,2-diamine

2-N,2-N,2-triethyl-1-(4-fluoro-3-methylphenyl)butane-1,2-diamine (PubChem CID 79061789) has the molecular formula C17H29FN2 and a molecular weight of 280.43 g/mol. Its IUPAC name is 2-N,2-N,2-triethyl-1-(4-fluoro-3-methylphenyl)butane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N,2-triethyl-1-(4-fluoro-3-methylphenyl)butane-1,2-diamine
PubChem CID79061789
Molecular FormulaC17H29FN2
Molecular Weight280.43 g/mol
Exact Mass280.23
IUPAC Name2-N,2-N,2-triethyl-1-(4-fluoro-3-methylphenyl)butane-1,2-diamine
SMILESCCN(CC)C(CC)(CC)C(N)c1ccc(F)c(C)c1
InChIInChI=1S/C17H29FN2/c1-6-17(7-2,20(8-3)9-4)16(19)14-10-11-15(18)13(5)12-14/h10-12,16H,6-9,19H2,1-5H3
InChIKeyHLRNUOLQUGWBJI-UHFFFAOYSA-N
XLogP4.03
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.43
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N,2-N,2-triethyl-1-(4-fluoro-3-methylphenyl)-1-N-methylbutane-1,2-diamine
CID 79059901
1-(2,5-difluorophenyl)-2-N,2-N,2-triethylbutane-1,2-diamine
CID 79062206
(1R)-1-(4-fluoro-3-methylphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171247777
(1S)-1-(4-fluoro-3-methylphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171241058
(1S)-2,2,2-trifluoro-1-(4-fluoro-3-methylphenyl)ethanamine;hydrochloride
CID 171247770
2-(diethylamino)-1-(4-fluoro-3-methylphenyl)-2-methylbutan-1-ol
CID 79063565
N,N-diethyl-1-(4-fluoro-3-methylphenyl)-1-hydrazinyl-2-methylbutan-2-amine
CID 105240807
2-N,2-N-diethyl-1-(3-fluoro-4-methylphenyl)-2-methylpropane-1,2-diamine
CID 107128883
(3R)-3-amino-3-(4-fluoro-3-methylphenyl)-2,2-dimethylpropan-1-ol
CID 131494275
(2S)-2-amino-2-(4-fluoro-3-methylphenyl)ethanol
CID 55278210
ethyl (3S)-3-amino-2,2-difluoro-3-(4-fluoro-3-methylphenyl)propanoate
CID 171247768
(1S)-1-(4-fluoro-3-methylphenyl)ethanamine
CID 45072346

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,2-triethyl-1-(4-fluoro-3-methylphenyl)butane-1,2-diamine?
The IUPAC name of 2-N,2-N,2-triethyl-1-(4-fluoro-3-methylphenyl)butane-1,2-diamine (CID 79061789) is 2-N,2-N,2-triethyl-1-(4-fluoro-3-methylphenyl)butane-1,2-diamine.
What is the SMILES notation for 2-N,2-N,2-triethyl-1-(4-fluoro-3-methylphenyl)butane-1,2-diamine?
The canonical SMILES for 2-N,2-N,2-triethyl-1-(4-fluoro-3-methylphenyl)butane-1,2-diamine is CCN(CC)C(CC)(CC)C(N)c1ccc(F)c(C)c1.
What is the InChIKey of 2-N,2-N,2-triethyl-1-(4-fluoro-3-methylphenyl)butane-1,2-diamine?
The InChIKey is HLRNUOLQUGWBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29FN2/c1-6-17(7-2,20(8-3)9-4)16(19)14-10-11-15(18)13(5)12-14/h10-12,16H,6-9,19H2,1-5H3.
What are the key properties of 2-N,2-N,2-triethyl-1-(4-fluoro-3-methylphenyl)butane-1,2-diamine?
2-N,2-N,2-triethyl-1-(4-fluoro-3-methylphenyl)butane-1,2-diamine has a molecular weight of 280.43 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,2-triethyl-1-(4-fluoro-3-methylphenyl)butane-1,2-diamine is sourced from PubChem (CID 79061789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).