2,5-difluoro-4-methyl-N-[(4-methylcyclohexyl)methyl]aniline

C15H21F2N — CID 103584772

IUPAC2,5-difluoro-4-methyl-N-[(4-methylcyclohexyl)methyl]aniline
SMILESCc1cc(F)c(NCC2CCC(C)CC2)cc1F
InChIInChI=1S/C15H21F2N/c1-10-3-5-12(6-4-10)9-18-15-8-13(16)11(2)7-14(15)17/h7-8,10,12,18H,3-6,9H2,1-2H3
InChIKeyIJMMZOVPUVEQKV-UHFFFAOYSA-N
MW253.34 g/mol
LogP4.51
Rot. Bonds3

About 2,5-difluoro-4-methyl-N-[(4-methylcyclohexyl)methyl]aniline

2,5-difluoro-4-methyl-N-[(4-methylcyclohexyl)methyl]aniline (PubChem CID 103584772) has the molecular formula C15H21F2N and a molecular weight of 253.34 g/mol. Its IUPAC name is 2,5-difluoro-4-methyl-N-[(4-methylcyclohexyl)methyl]aniline.

Molecular Properties

Compound Name2,5-difluoro-4-methyl-N-[(4-methylcyclohexyl)methyl]aniline
PubChem CID103584772
Molecular FormulaC15H21F2N
Molecular Weight253.34 g/mol
Exact Mass253.16
IUPAC Name2,5-difluoro-4-methyl-N-[(4-methylcyclohexyl)methyl]aniline
SMILESCc1cc(F)c(NCC2CCC(C)CC2)cc1F
InChIInChI=1S/C15H21F2N/c1-10-3-5-12(6-4-10)9-18-15-8-13(16)11(2)7-14(15)17/h7-8,10,12,18H,3-6,9H2,1-2H3
InChIKeyIJMMZOVPUVEQKV-UHFFFAOYSA-N
XLogP4.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(cyclopentylmethyl)-2,5-difluoro-4-methylaniline
CID 103584848
2,5-difluoro-4-methyl-N-(piperidin-3-ylmethyl)aniline
CID 103584964
3-fluoro-2-iodo-N-[(4-methylcyclohexyl)methyl]aniline
CID 114258327
4-[(2-amino-4-fluoro-5-methylanilino)methyl]cyclohexan-1-ol
CID 106120184
4-bromo-5-fluoro-2-N-[(4-methylcyclohexyl)methyl]benzene-1,2-diamine
CID 116735930
4-bromo-5-fluoro-N-[(4-methylcyclohexyl)methyl]-2-nitroaniline
CID 66110279
4-bromo-N-(cyclopentylmethyl)-2,5-difluoroaniline
CID 107609807
N-[(3-aminocyclopentyl)methyl]-2,4,5-trifluoroaniline
CID 69483775
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,5-difluoro-4-methylaniline
CID 103585133
5-bromo-N-(cyclobutylmethyl)-4-fluoro-2-methylaniline
CID 107591726
2-methyl-N-[(4-methylcyclohexyl)methyl]pyridin-3-amine
CID 79042072
N-(cyclopropylmethyl)-2-fluoro-3-methylaniline
CID 130165755

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-4-methyl-N-[(4-methylcyclohexyl)methyl]aniline?
The IUPAC name of 2,5-difluoro-4-methyl-N-[(4-methylcyclohexyl)methyl]aniline (CID 103584772) is 2,5-difluoro-4-methyl-N-[(4-methylcyclohexyl)methyl]aniline.
What is the SMILES notation for 2,5-difluoro-4-methyl-N-[(4-methylcyclohexyl)methyl]aniline?
The canonical SMILES for 2,5-difluoro-4-methyl-N-[(4-methylcyclohexyl)methyl]aniline is Cc1cc(F)c(NCC2CCC(C)CC2)cc1F.
What is the InChIKey of 2,5-difluoro-4-methyl-N-[(4-methylcyclohexyl)methyl]aniline?
The InChIKey is IJMMZOVPUVEQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N/c1-10-3-5-12(6-4-10)9-18-15-8-13(16)11(2)7-14(15)17/h7-8,10,12,18H,3-6,9H2,1-2H3.
What are the key properties of 2,5-difluoro-4-methyl-N-[(4-methylcyclohexyl)methyl]aniline?
2,5-difluoro-4-methyl-N-[(4-methylcyclohexyl)methyl]aniline has a molecular weight of 253.34 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-4-methyl-N-[(4-methylcyclohexyl)methyl]aniline is sourced from PubChem (CID 103584772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).