2-N,2-N-diethyl-1-(2-fluoro-5-methylphenyl)-2-methylbutane-1,2-diamine

C16H27FN2 — CID 79068432

IUPAC2-N,2-N-diethyl-1-(2-fluoro-5-methylphenyl)-2-methylbutane-1,2-diamine
SMILESCCN(CC)C(C)(CC)C(N)c1cc(C)ccc1F
InChIInChI=1S/C16H27FN2/c1-6-16(5,19(7-2)8-3)15(18)13-11-12(4)9-10-14(13)17/h9-11,15H,6-8,18H2,1-5H3
InChIKeyMBNHXAQWKXVJIM-UHFFFAOYSA-N
MW266.40 g/mol
LogP3.64
Rot. Bonds6

About 2-N,2-N-diethyl-1-(2-fluoro-5-methylphenyl)-2-methylbutane-1,2-diamine

2-N,2-N-diethyl-1-(2-fluoro-5-methylphenyl)-2-methylbutane-1,2-diamine (PubChem CID 79068432) has the molecular formula C16H27FN2 and a molecular weight of 266.40 g/mol. Its IUPAC name is 2-N,2-N-diethyl-1-(2-fluoro-5-methylphenyl)-2-methylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-1-(2-fluoro-5-methylphenyl)-2-methylbutane-1,2-diamine
PubChem CID79068432
Molecular FormulaC16H27FN2
Molecular Weight266.40 g/mol
Exact Mass266.22
IUPAC Name2-N,2-N-diethyl-1-(2-fluoro-5-methylphenyl)-2-methylbutane-1,2-diamine
SMILESCCN(CC)C(C)(CC)C(N)c1cc(C)ccc1F
InChIInChI=1S/C16H27FN2/c1-6-16(5,19(7-2)8-3)15(18)13-11-12(4)9-10-14(13)17/h9-11,15H,6-8,18H2,1-5H3
InChIKeyMBNHXAQWKXVJIM-UHFFFAOYSA-N
XLogP3.64
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.40
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylphenyl)-2-N,2-N-diethyl-2-methylbutane-1,2-diamine
CID 79069136
N,N-diethyl-1-(2-fluoro-5-methylphenyl)-1-hydrazinyl-2-methylbutan-2-amine
CID 105240808
2,2-difluoro-1-(2-fluoro-5-methylphenyl)propan-1-amine
CID 131081700
1-(2,5-difluorophenyl)-N,N-diethyl-1-hydrazinyl-2-methylbutan-2-amine
CID 105240869
1-(2,5-difluorophenyl)-2-N,2-N,2-triethylbutane-1,2-diamine
CID 79062206
2-N,2-N-diethyl-1-(3-fluoro-4-methylphenyl)-2-methylpropane-1,2-diamine
CID 107128883
N',N'-diethyl-1-(2-fluoro-5-methylphenyl)propane-1,3-diamine
CID 79086739
1-(2-fluoro-5-methylphenyl)-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine
CID 79063671
(1S)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 45072344
(1R)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 45072341
methyl (3S)-3-amino-3-(2-fluoro-5-methylphenyl)-2,2-dimethylpropanoate
CID 171241005
methyl (3R)-3-amino-3-(2-fluoro-5-methylphenyl)-2,2-dimethylpropanoate
CID 171247724

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-1-(2-fluoro-5-methylphenyl)-2-methylbutane-1,2-diamine?
The IUPAC name of 2-N,2-N-diethyl-1-(2-fluoro-5-methylphenyl)-2-methylbutane-1,2-diamine (CID 79068432) is 2-N,2-N-diethyl-1-(2-fluoro-5-methylphenyl)-2-methylbutane-1,2-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-1-(2-fluoro-5-methylphenyl)-2-methylbutane-1,2-diamine?
The canonical SMILES for 2-N,2-N-diethyl-1-(2-fluoro-5-methylphenyl)-2-methylbutane-1,2-diamine is CCN(CC)C(C)(CC)C(N)c1cc(C)ccc1F.
What is the InChIKey of 2-N,2-N-diethyl-1-(2-fluoro-5-methylphenyl)-2-methylbutane-1,2-diamine?
The InChIKey is MBNHXAQWKXVJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27FN2/c1-6-16(5,19(7-2)8-3)15(18)13-11-12(4)9-10-14(13)17/h9-11,15H,6-8,18H2,1-5H3.
What are the key properties of 2-N,2-N-diethyl-1-(2-fluoro-5-methylphenyl)-2-methylbutane-1,2-diamine?
2-N,2-N-diethyl-1-(2-fluoro-5-methylphenyl)-2-methylbutane-1,2-diamine has a molecular weight of 266.40 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-1-(2-fluoro-5-methylphenyl)-2-methylbutane-1,2-diamine is sourced from PubChem (CID 79068432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).