3,5-difluoro-N-[3-(2-methylpropyl)cyclohexyl]aniline

C16H23F2N — CID 107427934

IUPAC3,5-difluoro-N-[3-(2-methylpropyl)cyclohexyl]aniline
SMILESCC(C)CC1CCCC(Nc2cc(F)cc(F)c2)C1
InChIInChI=1S/C16H23F2N/c1-11(2)6-12-4-3-5-15(7-12)19-16-9-13(17)8-14(18)10-16/h8-12,15,19H,3-7H2,1-2H3
InChIKeyNDYSLPKSPVEYLI-UHFFFAOYSA-N
MW267.36 g/mol
LogP4.98
Rot. Bonds4

About 3,5-difluoro-N-[3-(2-methylpropyl)cyclohexyl]aniline

3,5-difluoro-N-[3-(2-methylpropyl)cyclohexyl]aniline (PubChem CID 107427934) has the molecular formula C16H23F2N and a molecular weight of 267.36 g/mol. Its IUPAC name is 3,5-difluoro-N-[3-(2-methylpropyl)cyclohexyl]aniline.

Molecular Properties

Compound Name3,5-difluoro-N-[3-(2-methylpropyl)cyclohexyl]aniline
PubChem CID107427934
Molecular FormulaC16H23F2N
Molecular Weight267.36 g/mol
Exact Mass267.18
IUPAC Name3,5-difluoro-N-[3-(2-methylpropyl)cyclohexyl]aniline
SMILESCC(C)CC1CCCC(Nc2cc(F)cc(F)c2)C1
InChIInChI=1S/C16H23F2N/c1-11(2)6-12-4-3-5-15(7-12)19-16-9-13(17)8-14(18)10-16/h8-12,15,19H,3-7H2,1-2H3
InChIKeyNDYSLPKSPVEYLI-UHFFFAOYSA-N
XLogP4.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,5-difluoro-N-(3-propan-2-ylcyclohexyl)aniline
CID 107447829
4-fluoro-3-methoxy-N-[3-(2-methylpropyl)cyclohexyl]aniline
CID 107428829
2-methyl-5-[[3-(2-methylpropyl)cyclohexyl]amino]phenol
CID 107700309
2-chloro-N-[3-(2-methylpropyl)cyclohexyl]pyridin-4-amine
CID 107428685
4-[[3-(2-methylpropyl)cyclohexyl]amino]benzene-1,2-dicarbonitrile
CID 107788377
2,6-dibromo-4-methyl-N-[3-(2-methylpropyl)cyclohexyl]aniline
CID 107428039
3-chloro-4-methoxy-N-[3-(2-methylpropyl)cyclohexyl]aniline
CID 107427851
4-[[3-(2-methylpropyl)cyclohexyl]amino]benzenesulfonamide
CID 107427895
N-[(3-fluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428036
1-methyl-5-[[3-(2-methylpropyl)cyclohexyl]amino]pyridin-2-one
CID 107428313
2,5-dichloro-N-[3-(2-methylpropyl)cyclohexyl]aniline
CID 107427839
2-methyl-N-[3-(2-methylpropyl)cyclohexyl]-1,3-benzoxazol-5-amine
CID 107427997

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[3-(2-methylpropyl)cyclohexyl]aniline?
The IUPAC name of 3,5-difluoro-N-[3-(2-methylpropyl)cyclohexyl]aniline (CID 107427934) is 3,5-difluoro-N-[3-(2-methylpropyl)cyclohexyl]aniline.
What is the SMILES notation for 3,5-difluoro-N-[3-(2-methylpropyl)cyclohexyl]aniline?
The canonical SMILES for 3,5-difluoro-N-[3-(2-methylpropyl)cyclohexyl]aniline is CC(C)CC1CCCC(Nc2cc(F)cc(F)c2)C1.
What is the InChIKey of 3,5-difluoro-N-[3-(2-methylpropyl)cyclohexyl]aniline?
The InChIKey is NDYSLPKSPVEYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N/c1-11(2)6-12-4-3-5-15(7-12)19-16-9-13(17)8-14(18)10-16/h8-12,15,19H,3-7H2,1-2H3.
What are the key properties of 3,5-difluoro-N-[3-(2-methylpropyl)cyclohexyl]aniline?
3,5-difluoro-N-[3-(2-methylpropyl)cyclohexyl]aniline has a molecular weight of 267.36 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[3-(2-methylpropyl)cyclohexyl]aniline is sourced from PubChem (CID 107427934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).