N-[2-cyclohexyl-1-(2,4-difluoro-5-methylphenyl)ethyl]propan-2-amine

C18H27F2N — CID 79726318

IUPACN-[2-cyclohexyl-1-(2,4-difluoro-5-methylphenyl)ethyl]propan-2-amine
SMILESCc1cc(C(CC2CCCCC2)NC(C)C)c(F)cc1F
InChIInChI=1S/C18H27F2N/c1-12(2)21-18(10-14-7-5-4-6-8-14)15-9-13(3)16(19)11-17(15)20/h9,11-12,14,18,21H,4-8,10H2,1-3H3
InChIKeyGQJYCDUEKDQIIB-UHFFFAOYSA-N
MW295.42 g/mol
LogP5.28
Rot. Bonds5

About N-[2-cyclohexyl-1-(2,4-difluoro-5-methylphenyl)ethyl]propan-2-amine

N-[2-cyclohexyl-1-(2,4-difluoro-5-methylphenyl)ethyl]propan-2-amine (PubChem CID 79726318) has the molecular formula C18H27F2N and a molecular weight of 295.42 g/mol. Its IUPAC name is N-[2-cyclohexyl-1-(2,4-difluoro-5-methylphenyl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-cyclohexyl-1-(2,4-difluoro-5-methylphenyl)ethyl]propan-2-amine
PubChem CID79726318
Molecular FormulaC18H27F2N
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC NameN-[2-cyclohexyl-1-(2,4-difluoro-5-methylphenyl)ethyl]propan-2-amine
SMILESCc1cc(C(CC2CCCCC2)NC(C)C)c(F)cc1F
InChIInChI=1S/C18H27F2N/c1-12(2)21-18(10-14-7-5-4-6-8-14)15-9-13(3)16(19)11-17(15)20/h9,11-12,14,18,21H,4-8,10H2,1-3H3
InChIKeyGQJYCDUEKDQIIB-UHFFFAOYSA-N
XLogP5.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.42
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-cyclobutyl-1-(2,4-difluoro-5-methylphenyl)ethyl]propan-2-amine
CID 103163213
1-(1-bromo-2-cyclopentylethyl)-2,4-difluoro-5-methylbenzene
CID 79730955
2-cyclopentyl-N-ethyl-1-(2,4,5-trifluorophenyl)ethanamine
CID 103302742
1-(2-chloro-4-fluoro-5-methylphenyl)-2-cyclopentyl-N-ethylethanamine
CID 81045290
3-cyclopentyl-1-(2,4-difluoro-5-methylphenyl)propan-1-ol
CID 79730321
1-(1-chloro-3-cyclohexylpropyl)-2,4-difluoro-5-methylbenzene
CID 79730355
2-cyclohexyl-N-ethyl-1-(2-fluoro-5-methylphenyl)ethanamine
CID 115842003
cyclohexyl-(2,4-difluoro-5-methylphenyl)methanamine
CID 79724300
1-(2,4-difluoro-5-methylphenyl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 79724270
2-cyclopentyl-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
CID 62601380
[2-cyclobutyl-1-(2-fluoro-5-methylphenyl)ethyl]hydrazine
CID 105309984
2-cyclopentyl-1-(2-fluoro-4-methylphenyl)-N-methylethanamine
CID 115847143

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclohexyl-1-(2,4-difluoro-5-methylphenyl)ethyl]propan-2-amine?
The IUPAC name of N-[2-cyclohexyl-1-(2,4-difluoro-5-methylphenyl)ethyl]propan-2-amine (CID 79726318) is N-[2-cyclohexyl-1-(2,4-difluoro-5-methylphenyl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-cyclohexyl-1-(2,4-difluoro-5-methylphenyl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-cyclohexyl-1-(2,4-difluoro-5-methylphenyl)ethyl]propan-2-amine is Cc1cc(C(CC2CCCCC2)NC(C)C)c(F)cc1F.
What is the InChIKey of N-[2-cyclohexyl-1-(2,4-difluoro-5-methylphenyl)ethyl]propan-2-amine?
The InChIKey is GQJYCDUEKDQIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F2N/c1-12(2)21-18(10-14-7-5-4-6-8-14)15-9-13(3)16(19)11-17(15)20/h9,11-12,14,18,21H,4-8,10H2,1-3H3.
What are the key properties of N-[2-cyclohexyl-1-(2,4-difluoro-5-methylphenyl)ethyl]propan-2-amine?
N-[2-cyclohexyl-1-(2,4-difluoro-5-methylphenyl)ethyl]propan-2-amine has a molecular weight of 295.42 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclohexyl-1-(2,4-difluoro-5-methylphenyl)ethyl]propan-2-amine is sourced from PubChem (CID 79726318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).