5-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-2-propan-2-ylcyclohexan-1-amine

C19H31N — CID 81364343

IUPAC5-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-2-propan-2-ylcyclohexan-1-amine
SMILESCc1cccc([C@@H](C)NC2CC(C)CCC2C(C)C)c1
InChIInChI=1S/C19H31N/c1-13(2)18-10-9-15(4)12-19(18)20-16(5)17-8-6-7-14(3)11-17/h6-8,11,13,15-16,18-20H,9-10,12H2,1-5H3/t15?,16-,18?,19?/m1/s1
InChIKeyQISYXWXMYZOLRJ-BLULRWNPSA-N
MW273.46 g/mol
LogP5.11
Rot. Bonds4

About 5-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-2-propan-2-ylcyclohexan-1-amine

5-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-2-propan-2-ylcyclohexan-1-amine (PubChem CID 81364343) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 5-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-2-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name5-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-2-propan-2-ylcyclohexan-1-amine
PubChem CID81364343
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name5-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-2-propan-2-ylcyclohexan-1-amine
SMILESCc1cccc([C@@H](C)NC2CC(C)CCC2C(C)C)c1
InChIInChI=1S/C19H31N/c1-13(2)18-10-9-15(4)12-19(18)20-16(5)17-8-6-7-14(3)11-17/h6-8,11,13,15-16,18-20H,9-10,12H2,1-5H3/t15?,16-,18?,19?/m1/s1
InChIKeyQISYXWXMYZOLRJ-BLULRWNPSA-N
XLogP5.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(3-bromophenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 43426724
N-[1-(3-fluorophenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 43078452
5-methyl-N-[(1R)-1-phenylethyl]-2-propan-2-ylcyclohexan-1-amine
CID 81350586
N-[(1R)-1-(3-methoxyphenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 81382365
N-[1-(3,4-dimethylphenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 43710182
5-[1-[(5-methyl-2-propan-2-ylcyclohexyl)amino]ethyl]benzene-1,3-diol
CID 107705663
N-[(1S)-1-(4-fluorophenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 81347756
N-[1-(4-iodophenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 43784375
N-[(1S)-1-(4-bromophenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 81353913
2-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]cyclopentan-1-amine
CID 81363310
5-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]-2-propan-2-ylcyclohexan-1-amine
CID 43433961
N-[1-(3-chlorophenyl)ethyl]-2,5-dimethylcyclohexan-1-amine
CID 64774146

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-2-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 5-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-2-propan-2-ylcyclohexan-1-amine (CID 81364343) is 5-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-2-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 5-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-2-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 5-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-2-propan-2-ylcyclohexan-1-amine is Cc1cccc([C@@H](C)NC2CC(C)CCC2C(C)C)c1.
What is the InChIKey of 5-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-2-propan-2-ylcyclohexan-1-amine?
The InChIKey is QISYXWXMYZOLRJ-BLULRWNPSA-N. The full InChI is InChI=1S/C19H31N/c1-13(2)18-10-9-15(4)12-19(18)20-16(5)17-8-6-7-14(3)11-17/h6-8,11,13,15-16,18-20H,9-10,12H2,1-5H3/t15?,16-,18?,19?/m1/s1.
What are the key properties of 5-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-2-propan-2-ylcyclohexan-1-amine?
5-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-2-propan-2-ylcyclohexan-1-amine has a molecular weight of 273.46 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-2-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 81364343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).