N-methyl-2-(4-methylcyclohexyl)oxy-2-(4-methylphenyl)ethanamine

C17H27NO — CID 62108098

IUPACN-methyl-2-(4-methylcyclohexyl)oxy-2-(4-methylphenyl)ethanamine
SMILESCNCC(OC1CCC(C)CC1)c1ccc(C)cc1
InChIInChI=1S/C17H27NO/c1-13-4-8-15(9-5-13)17(12-18-3)19-16-10-6-14(2)7-11-16/h4-5,8-9,14,16-18H,6-7,10-12H2,1-3H3
InChIKeyCRUXYVNQFFUDQL-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.85
Rot. Bonds5

About N-methyl-2-(4-methylcyclohexyl)oxy-2-(4-methylphenyl)ethanamine

N-methyl-2-(4-methylcyclohexyl)oxy-2-(4-methylphenyl)ethanamine (PubChem CID 62108098) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-methyl-2-(4-methylcyclohexyl)oxy-2-(4-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(4-methylcyclohexyl)oxy-2-(4-methylphenyl)ethanamine
PubChem CID62108098
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-methyl-2-(4-methylcyclohexyl)oxy-2-(4-methylphenyl)ethanamine
SMILESCNCC(OC1CCC(C)CC1)c1ccc(C)cc1
InChIInChI=1S/C17H27NO/c1-13-4-8-15(9-5-13)17(12-18-3)19-16-10-6-14(2)7-11-16/h4-5,8-9,14,16-18H,6-7,10-12H2,1-3H3
InChIKeyCRUXYVNQFFUDQL-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 3100
CID 3100
CID 4762
CID 4762
CID 92159
CID 92159
CID 25315
CID 25315
CID 91101
CID 91101
CID 23725051
CID 23725051
CID 11437142
CID 11437142
CID 167312513
CID 167312513
CID 97711
CID 97711
CID 103792
CID 103792
CID 40791
CID 40791
CID 27139
CID 27139

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methylcyclohexyl)oxy-2-(4-methylphenyl)ethanamine?
The IUPAC name of N-methyl-2-(4-methylcyclohexyl)oxy-2-(4-methylphenyl)ethanamine (CID 62108098) is N-methyl-2-(4-methylcyclohexyl)oxy-2-(4-methylphenyl)ethanamine.
What is the SMILES notation for N-methyl-2-(4-methylcyclohexyl)oxy-2-(4-methylphenyl)ethanamine?
The canonical SMILES for N-methyl-2-(4-methylcyclohexyl)oxy-2-(4-methylphenyl)ethanamine is CNCC(OC1CCC(C)CC1)c1ccc(C)cc1.
What is the InChIKey of N-methyl-2-(4-methylcyclohexyl)oxy-2-(4-methylphenyl)ethanamine?
The InChIKey is CRUXYVNQFFUDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13-4-8-15(9-5-13)17(12-18-3)19-16-10-6-14(2)7-11-16/h4-5,8-9,14,16-18H,6-7,10-12H2,1-3H3.
What are the key properties of N-methyl-2-(4-methylcyclohexyl)oxy-2-(4-methylphenyl)ethanamine?
N-methyl-2-(4-methylcyclohexyl)oxy-2-(4-methylphenyl)ethanamine has a molecular weight of 261.41 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methylcyclohexyl)oxy-2-(4-methylphenyl)ethanamine is sourced from PubChem (CID 62108098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).