N-(2,6-dimethylheptan-4-yl)-3-fluoro-2-methylaniline

C16H26FN — CID 63453830

IUPACN-(2,6-dimethylheptan-4-yl)-3-fluoro-2-methylaniline
SMILESCc1c(F)cccc1NC(CC(C)C)CC(C)C
InChIInChI=1S/C16H26FN/c1-11(2)9-14(10-12(3)4)18-16-8-6-7-15(17)13(16)5/h6-8,11-12,14,18H,9-10H2,1-5H3
InChIKeyCWFZRVICFRINHT-UHFFFAOYSA-N
MW251.39 g/mol
LogP5.01
Rot. Bonds6

About N-(2,6-dimethylheptan-4-yl)-3-fluoro-2-methylaniline

N-(2,6-dimethylheptan-4-yl)-3-fluoro-2-methylaniline (PubChem CID 63453830) has the molecular formula C16H26FN and a molecular weight of 251.39 g/mol. Its IUPAC name is N-(2,6-dimethylheptan-4-yl)-3-fluoro-2-methylaniline.

Molecular Properties

Compound NameN-(2,6-dimethylheptan-4-yl)-3-fluoro-2-methylaniline
PubChem CID63453830
Molecular FormulaC16H26FN
Molecular Weight251.39 g/mol
Exact Mass251.20
IUPAC NameN-(2,6-dimethylheptan-4-yl)-3-fluoro-2-methylaniline
SMILESCc1c(F)cccc1NC(CC(C)C)CC(C)C
InChIInChI=1S/C16H26FN/c1-11(2)9-14(10-12(3)4)18-16-8-6-7-15(17)13(16)5/h6-8,11-12,14,18H,9-10H2,1-5H3
InChIKeyCWFZRVICFRINHT-UHFFFAOYSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.39
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,6-dimethylheptan-4-yl)-2-fluoro-4-methylaniline
CID 28890755
3-fluoro-N-[1-(2-fluorophenyl)propyl]-2-methylaniline
CID 112676975
3-fluoro-2-methyl-N-(4-methyl-4-phenylpentan-2-yl)aniline
CID 63455215
3-fluoro-N-[1-(4-fluorophenyl)propyl]-2-methylaniline
CID 55194278
1,3-difluoro-2-methylbenzene;2-methylpropane
CID 159186577
methyl 2-(3-fluoro-2-methylanilino)butanoate
CID 79118150
4-methyl-2-(2-methyl-3-nitroanilino)pentan-1-ol
CID 63076058
N-(2,6-dimethylheptan-4-yl)-2-fluoro-5-(trifluoromethyl)aniline
CID 63462426
4-chloro-N-(2,6-dimethylheptan-4-yl)-2-methylaniline
CID 28553794
3-(3-fluoro-2-methylanilino)-N-propan-2-ylpropanamide
CID 62623240
3-fluoro-2-methyl-N-(1-phenylpentyl)aniline
CID 63453826
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-fluoro-2-methylaniline
CID 63752957

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylheptan-4-yl)-3-fluoro-2-methylaniline?
The IUPAC name of N-(2,6-dimethylheptan-4-yl)-3-fluoro-2-methylaniline (CID 63453830) is N-(2,6-dimethylheptan-4-yl)-3-fluoro-2-methylaniline.
What is the SMILES notation for N-(2,6-dimethylheptan-4-yl)-3-fluoro-2-methylaniline?
The canonical SMILES for N-(2,6-dimethylheptan-4-yl)-3-fluoro-2-methylaniline is Cc1c(F)cccc1NC(CC(C)C)CC(C)C.
What is the InChIKey of N-(2,6-dimethylheptan-4-yl)-3-fluoro-2-methylaniline?
The InChIKey is CWFZRVICFRINHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN/c1-11(2)9-14(10-12(3)4)18-16-8-6-7-15(17)13(16)5/h6-8,11-12,14,18H,9-10H2,1-5H3.
What are the key properties of N-(2,6-dimethylheptan-4-yl)-3-fluoro-2-methylaniline?
N-(2,6-dimethylheptan-4-yl)-3-fluoro-2-methylaniline has a molecular weight of 251.39 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylheptan-4-yl)-3-fluoro-2-methylaniline is sourced from PubChem (CID 63453830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).