N-(1-cyclopropyl-4-methylpentyl)-2,6-difluoroaniline

C15H21F2N — CID 114275903

IUPACN-(1-cyclopropyl-4-methylpentyl)-2,6-difluoroaniline
SMILESCC(C)CCC(Nc1c(F)cccc1F)C1CC1
InChIInChI=1S/C15H21F2N/c1-10(2)6-9-14(11-7-8-11)18-15-12(16)4-3-5-13(15)17/h3-5,10-11,14,18H,6-9H2,1-2H3
InChIKeyYNOWORIWQXELBJ-UHFFFAOYSA-N
MW253.34 g/mol
LogP4.59
Rot. Bonds6

About N-(1-cyclopropyl-4-methylpentyl)-2,6-difluoroaniline

N-(1-cyclopropyl-4-methylpentyl)-2,6-difluoroaniline (PubChem CID 114275903) has the molecular formula C15H21F2N and a molecular weight of 253.34 g/mol. Its IUPAC name is N-(1-cyclopropyl-4-methylpentyl)-2,6-difluoroaniline.

Molecular Properties

Compound NameN-(1-cyclopropyl-4-methylpentyl)-2,6-difluoroaniline
PubChem CID114275903
Molecular FormulaC15H21F2N
Molecular Weight253.34 g/mol
Exact Mass253.16
IUPAC NameN-(1-cyclopropyl-4-methylpentyl)-2,6-difluoroaniline
SMILESCC(C)CCC(Nc1c(F)cccc1F)C1CC1
InChIInChI=1S/C15H21F2N/c1-10(2)6-9-14(11-7-8-11)18-15-12(16)4-3-5-13(15)17/h3-5,10-11,14,18H,6-9H2,1-2H3
InChIKeyYNOWORIWQXELBJ-UHFFFAOYSA-N
XLogP4.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Benzenamine, N-(3-methylbutyl)-
CID 222659
N-Octylaniline
CID 137788
4-fluoro-N-propylaniline
CID 22669157
Benzenamine, 4-fluoro-N-(1-methylethyl)-
CID 154403
N-(2-Ethylhexyl)aniline
CID 61484
N-ethyl-4-fluoroaniline
CID 4962184
1,4-Benzenediamine, N1-(1,4-dimethylpentyl)-
CID 6454574
Benzenamine, N-(1,4-dimethylpentyl)-
CID 21623950
N-(cyclopropylmethyl)aniline
CID 15194687
N-(propan-2-yl)-3-(trifluoromethyl)aniline
CID 14555378
N-(3-methylcyclohexyl)aniline
CID 4711890
N-(Cyclopropylmethyl)-4-methylaniline
CID 28308138

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyl-4-methylpentyl)-2,6-difluoroaniline?
The IUPAC name of N-(1-cyclopropyl-4-methylpentyl)-2,6-difluoroaniline (CID 114275903) is N-(1-cyclopropyl-4-methylpentyl)-2,6-difluoroaniline.
What is the SMILES notation for N-(1-cyclopropyl-4-methylpentyl)-2,6-difluoroaniline?
The canonical SMILES for N-(1-cyclopropyl-4-methylpentyl)-2,6-difluoroaniline is CC(C)CCC(Nc1c(F)cccc1F)C1CC1.
What is the InChIKey of N-(1-cyclopropyl-4-methylpentyl)-2,6-difluoroaniline?
The InChIKey is YNOWORIWQXELBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N/c1-10(2)6-9-14(11-7-8-11)18-15-12(16)4-3-5-13(15)17/h3-5,10-11,14,18H,6-9H2,1-2H3.
What are the key properties of N-(1-cyclopropyl-4-methylpentyl)-2,6-difluoroaniline?
N-(1-cyclopropyl-4-methylpentyl)-2,6-difluoroaniline has a molecular weight of 253.34 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropyl-4-methylpentyl)-2,6-difluoroaniline is sourced from PubChem (CID 114275903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).