1-(1-methoxy-3-methylcyclohexyl)-N-methyl-3-phenylpropan-1-amine

C18H29NO — CID 116767746

IUPAC1-(1-methoxy-3-methylcyclohexyl)-N-methyl-3-phenylpropan-1-amine
SMILESCNC(CCc1ccccc1)C1(OC)CCCC(C)C1
InChIInChI=1S/C18H29NO/c1-15-8-7-13-18(14-15,20-3)17(19-2)12-11-16-9-5-4-6-10-16/h4-6,9-10,15,17,19H,7-8,11-14H2,1-3H3
InChIKeyNXPUOWVDHYGJMP-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.80
Rot. Bonds6

About 1-(1-methoxy-3-methylcyclohexyl)-N-methyl-3-phenylpropan-1-amine

1-(1-methoxy-3-methylcyclohexyl)-N-methyl-3-phenylpropan-1-amine (PubChem CID 116767746) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-(1-methoxy-3-methylcyclohexyl)-N-methyl-3-phenylpropan-1-amine.

Molecular Properties

Compound Name1-(1-methoxy-3-methylcyclohexyl)-N-methyl-3-phenylpropan-1-amine
PubChem CID116767746
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-(1-methoxy-3-methylcyclohexyl)-N-methyl-3-phenylpropan-1-amine
SMILESCNC(CCc1ccccc1)C1(OC)CCCC(C)C1
InChIInChI=1S/C18H29NO/c1-15-8-7-13-18(14-15,20-3)17(19-2)12-11-16-9-5-4-6-10-16/h4-6,9-10,15,17,19H,7-8,11-14H2,1-3H3
InChIKeyNXPUOWVDHYGJMP-UHFFFAOYSA-N
XLogP3.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.80
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
2-(4-ethylphenyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylethanamine
CID 116767869
2-cyclopropyl-1-(1-methoxy-3-methylcyclohexyl)-N-methylethanamine
CID 116767760
1-(1-methoxy-3-methylcyclohexyl)-N-methylbut-3-yn-1-amine
CID 116767850
1-(1-methoxy-3-methylcyclohexyl)-N-methyl-4-methylsulfonylbutan-1-amine
CID 116767832
1-(1-methoxy-3-methylcyclohexyl)-N-methylbut-3-en-1-amine
CID 116767736
1-(1-methoxy-3-methylcyclohexyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 116767803
1-(1-ethoxy-3-methylcyclohexyl)-4-phenylbutan-1-ol
CID 116755271
1-(1-methoxy-3-methylcyclohexyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 116767770
1-(2-chlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine
CID 116767849
[1-(1-methoxy-3-methylcyclohexyl)-2-(2-methoxyphenyl)ethyl]hydrazine
CID 105277634
[1-(1-methoxy-3-methylcyclohexyl)-2-(3-methoxyphenyl)ethyl]hydrazine
CID 105277612

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxy-3-methylcyclohexyl)-N-methyl-3-phenylpropan-1-amine?
The IUPAC name of 1-(1-methoxy-3-methylcyclohexyl)-N-methyl-3-phenylpropan-1-amine (CID 116767746) is 1-(1-methoxy-3-methylcyclohexyl)-N-methyl-3-phenylpropan-1-amine.
What is the SMILES notation for 1-(1-methoxy-3-methylcyclohexyl)-N-methyl-3-phenylpropan-1-amine?
The canonical SMILES for 1-(1-methoxy-3-methylcyclohexyl)-N-methyl-3-phenylpropan-1-amine is CNC(CCc1ccccc1)C1(OC)CCCC(C)C1.
What is the InChIKey of 1-(1-methoxy-3-methylcyclohexyl)-N-methyl-3-phenylpropan-1-amine?
The InChIKey is NXPUOWVDHYGJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-15-8-7-13-18(14-15,20-3)17(19-2)12-11-16-9-5-4-6-10-16/h4-6,9-10,15,17,19H,7-8,11-14H2,1-3H3.
What are the key properties of 1-(1-methoxy-3-methylcyclohexyl)-N-methyl-3-phenylpropan-1-amine?
1-(1-methoxy-3-methylcyclohexyl)-N-methyl-3-phenylpropan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxy-3-methylcyclohexyl)-N-methyl-3-phenylpropan-1-amine is sourced from PubChem (CID 116767746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).