5-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]-2-propan-2-ylcyclohexan-1-amine

C19H31NS — CID 43433961

IUPAC5-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]-2-propan-2-ylcyclohexan-1-amine
SMILESCSc1ccc(C(C)NC2CC(C)CCC2C(C)C)cc1
InChIInChI=1S/C19H31NS/c1-13(2)18-11-6-14(3)12-19(18)20-15(4)16-7-9-17(21-5)10-8-16/h7-10,13-15,18-20H,6,11-12H2,1-5H3
InChIKeyAMLOKQZFZWOQLC-UHFFFAOYSA-N
MW305.53 g/mol
LogP5.52
Rot. Bonds5

About 5-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]-2-propan-2-ylcyclohexan-1-amine

5-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]-2-propan-2-ylcyclohexan-1-amine (PubChem CID 43433961) has the molecular formula C19H31NS and a molecular weight of 305.53 g/mol. Its IUPAC name is 5-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]-2-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name5-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]-2-propan-2-ylcyclohexan-1-amine
PubChem CID43433961
Molecular FormulaC19H31NS
Molecular Weight305.53 g/mol
Exact Mass305.22
IUPAC Name5-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]-2-propan-2-ylcyclohexan-1-amine
SMILESCSc1ccc(C(C)NC2CC(C)CCC2C(C)C)cc1
InChIInChI=1S/C19H31NS/c1-13(2)18-11-6-14(3)12-19(18)20-15(4)16-7-9-17(21-5)10-8-16/h7-10,13-15,18-20H,6,11-12H2,1-5H3
InChIKeyAMLOKQZFZWOQLC-UHFFFAOYSA-N
XLogP5.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.53
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
5-methyl-N-[(1R)-1-phenylethyl]-2-propan-2-ylcyclohexan-1-amine
CID 81350586
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-[1-(3-fluorophenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 43078452
5-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-2-propan-2-ylcyclohexan-1-amine
CID 81364343
2,3-dimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]cyclopentan-1-amine
CID 64908890
N-[1-(3-bromophenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 43426724
N-[(1R)-1-(3-methoxyphenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 81382365
N-[(4-methylcyclohexyl)methyl]-1-(4-methylsulfanylphenyl)ethanamine
CID 63462112

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]-2-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 5-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]-2-propan-2-ylcyclohexan-1-amine (CID 43433961) is 5-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]-2-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 5-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]-2-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 5-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]-2-propan-2-ylcyclohexan-1-amine is CSc1ccc(C(C)NC2CC(C)CCC2C(C)C)cc1.
What is the InChIKey of 5-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]-2-propan-2-ylcyclohexan-1-amine?
The InChIKey is AMLOKQZFZWOQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NS/c1-13(2)18-11-6-14(3)12-19(18)20-15(4)16-7-9-17(21-5)10-8-16/h7-10,13-15,18-20H,6,11-12H2,1-5H3.
What are the key properties of 5-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]-2-propan-2-ylcyclohexan-1-amine?
5-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]-2-propan-2-ylcyclohexan-1-amine has a molecular weight of 305.53 g/mol, XLogP of 5.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]-2-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 43433961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).