2-(4-ethylphenyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylethanamine

C19H31NO — CID 116767869

IUPAC2-(4-ethylphenyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylethanamine
SMILESCCc1ccc(CC(NC)C2(OC)CCCC(C)C2)cc1
InChIInChI=1S/C19H31NO/c1-5-16-8-10-17(11-9-16)13-18(20-3)19(21-4)12-6-7-15(2)14-19/h8-11,15,18,20H,5-7,12-14H2,1-4H3
InChIKeyMNCDQDWDFPGXQA-UHFFFAOYSA-N
MW289.46 g/mol
LogP3.97
Rot. Bonds6

About 2-(4-ethylphenyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylethanamine

2-(4-ethylphenyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylethanamine (PubChem CID 116767869) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-ethylphenyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylethanamine
PubChem CID116767869
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name2-(4-ethylphenyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylethanamine
SMILESCCc1ccc(CC(NC)C2(OC)CCCC(C)C2)cc1
InChIInChI=1S/C19H31NO/c1-5-16-8-10-17(11-9-16)13-18(20-3)19(21-4)12-6-7-15(2)14-19/h8-11,15,18,20H,5-7,12-14H2,1-4H3
InChIKeyMNCDQDWDFPGXQA-UHFFFAOYSA-N
XLogP3.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluorophenyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylethanamine
CID 116767827
1-(1-ethoxy-3-methylcyclohexyl)-2-(4-iodophenyl)-N-methylethanamine
CID 116768271
1-(1-methoxy-3-methylcyclohexyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 116767803
1-(1-methoxy-3-methylcyclohexyl)-N-methyl-3-phenylpropan-1-amine
CID 116767746
1-(1-methoxy-3-methylcyclohexyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 116767770
1-(1-methoxy-3-methylcyclohexyl)-N-methylbut-3-en-1-amine
CID 116767736
2-cyclopropyl-1-(1-methoxy-3-methylcyclohexyl)-N-methylethanamine
CID 116767760
2-(4-bromo-2-fluorophenyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylethanamine
CID 116767753
1-(1-methoxy-3-methylcyclohexyl)-N-methylbut-3-yn-1-amine
CID 116767850
1-(1-methoxy-3-methylcyclohexyl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 116767948
2-(4-iodophenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine
CID 116714268
1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methyl-2-phenylethanamine
CID 116769301

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylethanamine?
The IUPAC name of 2-(4-ethylphenyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylethanamine (CID 116767869) is 2-(4-ethylphenyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylethanamine.
What is the SMILES notation for 2-(4-ethylphenyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylethanamine?
The canonical SMILES for 2-(4-ethylphenyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylethanamine is CCc1ccc(CC(NC)C2(OC)CCCC(C)C2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylethanamine?
The InChIKey is MNCDQDWDFPGXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-5-16-8-10-17(11-9-16)13-18(20-3)19(21-4)12-6-7-15(2)14-19/h8-11,15,18,20H,5-7,12-14H2,1-4H3.
What are the key properties of 2-(4-ethylphenyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylethanamine?
2-(4-ethylphenyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylethanamine has a molecular weight of 289.46 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylethanamine is sourced from PubChem (CID 116767869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).