2,5-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]cyclohexan-1-amine

C17H27N — CID 81373172

IUPAC2,5-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]cyclohexan-1-amine
SMILESCc1ccccc1[C@@H](C)NC1CC(C)CCC1C
InChIInChI=1S/C17H27N/c1-12-9-10-14(3)17(11-12)18-15(4)16-8-6-5-7-13(16)2/h5-8,12,14-15,17-18H,9-11H2,1-4H3/t12?,14?,15-,17?/m1/s1
InChIKeyLFYZEOIASLFERO-GGDFGVHTSA-N
MW245.41 g/mol
LogP4.47
Rot. Bonds3

About 2,5-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]cyclohexan-1-amine

2,5-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]cyclohexan-1-amine (PubChem CID 81373172) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 2,5-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2,5-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]cyclohexan-1-amine
PubChem CID81373172
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name2,5-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]cyclohexan-1-amine
SMILESCc1ccccc1[C@@H](C)NC1CC(C)CCC1C
InChIInChI=1S/C17H27N/c1-12-9-10-14(3)17(11-12)18-15(4)16-8-6-5-7-13(16)2/h5-8,12,14-15,17-18H,9-11H2,1-4H3/t12?,14?,15-,17?/m1/s1
InChIKeyLFYZEOIASLFERO-GGDFGVHTSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 81375454
2-methyl-N-[1-(2-methylphenyl)ethyl]cyclopropan-1-amine
CID 62397879
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2,5-dimethylcyclohexan-1-amine
CID 81397921
3-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]cyclopentan-1-amine
CID 81374284
4-methyl-N-[1-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 43081539
3-methyl-N-[1-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 43081561
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2,5-dimethylcyclohexan-1-amine
CID 64760413
N-[(3-methylcyclopentyl)methyl]-1-(2-methylphenyl)ethanamine
CID 107411455
2-methyl-N-[2-methyl-1-(2-methylphenyl)propyl]cyclopropan-1-amine
CID 115898384
2,5-dimethyl-N-(1-phenylpropan-2-yl)cyclohexan-1-amine
CID 64760321
N-[1-(2,4-dimethoxyphenyl)ethyl]-2,5-dimethylcyclohexan-1-amine
CID 64762397
N-[1-(3-chlorophenyl)ethyl]-2,5-dimethylcyclohexan-1-amine
CID 64774146

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]cyclohexan-1-amine?
The IUPAC name of 2,5-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]cyclohexan-1-amine (CID 81373172) is 2,5-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 2,5-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 2,5-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]cyclohexan-1-amine is Cc1ccccc1[C@@H](C)NC1CC(C)CCC1C.
What is the InChIKey of 2,5-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]cyclohexan-1-amine?
The InChIKey is LFYZEOIASLFERO-GGDFGVHTSA-N. The full InChI is InChI=1S/C17H27N/c1-12-9-10-14(3)17(11-12)18-15(4)16-8-6-5-7-13(16)2/h5-8,12,14-15,17-18H,9-11H2,1-4H3/t12?,14?,15-,17?/m1/s1.
What are the key properties of 2,5-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]cyclohexan-1-amine?
2,5-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]cyclohexan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 81373172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).