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

C18H31FN2 — CID 79059901

IUPAC2-N,2-N,2-triethyl-1-(4-fluoro-3-methylphenyl)-1-N-methylbutane-1,2-diamine
SMILESCCN(CC)C(CC)(CC)C(NC)c1ccc(F)c(C)c1
InChIInChI=1S/C18H31FN2/c1-7-18(8-2,21(9-3)10-4)17(20-6)15-11-12-16(19)14(5)13-15/h11-13,17,20H,7-10H2,1-6H3
InChIKeyANCXCSNKVKUGCV-UHFFFAOYSA-N
MW294.46 g/mol
LogP4.30
Rot. Bonds8

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

2-N,2-N,2-triethyl-1-(4-fluoro-3-methylphenyl)-1-N-methylbutane-1,2-diamine (PubChem CID 79059901) has the molecular formula C18H31FN2 and a molecular weight of 294.46 g/mol. Its IUPAC name is 2-N,2-N,2-triethyl-1-(4-fluoro-3-methylphenyl)-1-N-methylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N,2-triethyl-1-(4-fluoro-3-methylphenyl)-1-N-methylbutane-1,2-diamine
PubChem CID79059901
Molecular FormulaC18H31FN2
Molecular Weight294.46 g/mol
Exact Mass294.25
IUPAC Name2-N,2-N,2-triethyl-1-(4-fluoro-3-methylphenyl)-1-N-methylbutane-1,2-diamine
SMILESCCN(CC)C(CC)(CC)C(NC)c1ccc(F)c(C)c1
InChIInChI=1S/C18H31FN2/c1-7-18(8-2,21(9-3)10-4)17(20-6)15-11-12-16(19)14(5)13-15/h11-13,17,20H,7-10H2,1-6H3
InChIKeyANCXCSNKVKUGCV-UHFFFAOYSA-N
XLogP4.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 54.30
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)butane-1,2-diamine
CID 79061789
N,N-diethyl-1-(4-fluoro-3-methylphenyl)-1-hydrazinyl-2-methylbutan-2-amine
CID 105240807
1-(4-fluoro-3-methylphenyl)-N,2,2-trimethylpropan-1-amine
CID 62394130
1-(3,4-dimethylphenyl)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine
CID 79069534
2-(diethylamino)-1-(4-fluoro-3-methylphenyl)-2-methylbutan-1-ol
CID 79063565
1-(4-fluoro-3-methylphenyl)-N-methylpropan-1-amine
CID 60929376
2-N,2-N,2-triethyl-1-N-methyl-1-pyrimidin-5-ylbutane-1,2-diamine
CID 79067715
2-ethyl-1-(4-fluorophenyl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine
CID 79062004
1-N,2-N,2-N,2-tetraethyl-1-(4-methylphenyl)butane-1,2-diamine
CID 79060138
3-[tert-butyl(ethyl)amino]-1-(4-fluoro-3-methylphenyl)propan-1-ol
CID 82073429
1-(3,4-difluorophenyl)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine
CID 79063885
1-(4-fluoro-3-methylphenyl)-N'-methylmethanediamine
CID 116939268

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,2-triethyl-1-(4-fluoro-3-methylphenyl)-1-N-methylbutane-1,2-diamine?
The IUPAC name of 2-N,2-N,2-triethyl-1-(4-fluoro-3-methylphenyl)-1-N-methylbutane-1,2-diamine (CID 79059901) is 2-N,2-N,2-triethyl-1-(4-fluoro-3-methylphenyl)-1-N-methylbutane-1,2-diamine.
What is the SMILES notation for 2-N,2-N,2-triethyl-1-(4-fluoro-3-methylphenyl)-1-N-methylbutane-1,2-diamine?
The canonical SMILES for 2-N,2-N,2-triethyl-1-(4-fluoro-3-methylphenyl)-1-N-methylbutane-1,2-diamine is CCN(CC)C(CC)(CC)C(NC)c1ccc(F)c(C)c1.
What is the InChIKey of 2-N,2-N,2-triethyl-1-(4-fluoro-3-methylphenyl)-1-N-methylbutane-1,2-diamine?
The InChIKey is ANCXCSNKVKUGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31FN2/c1-7-18(8-2,21(9-3)10-4)17(20-6)15-11-12-16(19)14(5)13-15/h11-13,17,20H,7-10H2,1-6H3.
What are the key properties of 2-N,2-N,2-triethyl-1-(4-fluoro-3-methylphenyl)-1-N-methylbutane-1,2-diamine?
2-N,2-N,2-triethyl-1-(4-fluoro-3-methylphenyl)-1-N-methylbutane-1,2-diamine has a molecular weight of 294.46 g/mol, XLogP of 4.30, 8 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)-1-N-methylbutane-1,2-diamine is sourced from PubChem (CID 79059901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).