1-(3,4-dimethoxyphenyl)-N-methyl-1-(1-methylcyclohexyl)methanamine

C17H27NO2 — CID 106826825

IUPAC1-(3,4-dimethoxyphenyl)-N-methyl-1-(1-methylcyclohexyl)methanamine
SMILESCNC(c1ccc(OC)c(OC)c1)C1(C)CCCCC1
InChIInChI=1S/C17H27NO2/c1-17(10-6-5-7-11-17)16(18-2)13-8-9-14(19-3)15(12-13)20-4/h8-9,12,16,18H,5-7,10-11H2,1-4H3
InChIKeyFIICFVAOMAPDHH-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.93
Rot. Bonds5

About 1-(3,4-dimethoxyphenyl)-N-methyl-1-(1-methylcyclohexyl)methanamine

1-(3,4-dimethoxyphenyl)-N-methyl-1-(1-methylcyclohexyl)methanamine (PubChem CID 106826825) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-methyl-1-(1-methylcyclohexyl)methanamine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-methyl-1-(1-methylcyclohexyl)methanamine
PubChem CID106826825
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-(3,4-dimethoxyphenyl)-N-methyl-1-(1-methylcyclohexyl)methanamine
SMILESCNC(c1ccc(OC)c(OC)c1)C1(C)CCCCC1
InChIInChI=1S/C17H27NO2/c1-17(10-6-5-7-11-17)16(18-2)13-8-9-14(19-3)15(12-13)20-4/h8-9,12,16,18H,5-7,10-11H2,1-4H3
InChIKeyFIICFVAOMAPDHH-UHFFFAOYSA-N
XLogP3.93
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(1-methylcyclohexyl)-1-naphthalen-2-ylmethanamine
CID 106830028
1-(3-bromo-4-propoxyphenyl)-N-methyl-1-(1-methylcyclohexyl)methanamine
CID 106827181
N-methyl-1-(1-methylcyclohexyl)-1-(3-methylphenyl)methanamine
CID 106829804
1-(3-bromo-4-fluorophenyl)-N-methyl-1-(1-methylcyclohexyl)methanamine
CID 106827094
N-[(4-chloro-3-methoxyphenyl)-(1-methylcyclohexyl)methyl]propan-1-amine
CID 106830322
N-methyl-1-(1-methylcyclopentyl)-1-(3-methylphenyl)methanamine
CID 115790477
1-(1-ethoxycyclohexyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 116763851
(3,4-dimethoxyphenyl)-(1-methoxycycloheptyl)methanol
CID 116755791
N-methyl-1-(1-methylcyclohexyl)-1-(4-propoxyphenyl)methanamine
CID 106830052
1-[[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]methyl]cyclohexan-1-ol
CID 65208254
1-(3-ethoxyphenyl)-N-methyl-1-(1-methylcyclopentyl)methanamine
CID 105022410
1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine
CID 107293642

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N-methyl-1-(1-methylcyclohexyl)methanamine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-methyl-1-(1-methylcyclohexyl)methanamine (CID 106826825) is 1-(3,4-dimethoxyphenyl)-N-methyl-1-(1-methylcyclohexyl)methanamine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-methyl-1-(1-methylcyclohexyl)methanamine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-methyl-1-(1-methylcyclohexyl)methanamine is CNC(c1ccc(OC)c(OC)c1)C1(C)CCCCC1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-methyl-1-(1-methylcyclohexyl)methanamine?
The InChIKey is FIICFVAOMAPDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-17(10-6-5-7-11-17)16(18-2)13-8-9-14(19-3)15(12-13)20-4/h8-9,12,16,18H,5-7,10-11H2,1-4H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-methyl-1-(1-methylcyclohexyl)methanamine?
1-(3,4-dimethoxyphenyl)-N-methyl-1-(1-methylcyclohexyl)methanamine has a molecular weight of 277.41 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-N-methyl-1-(1-methylcyclohexyl)methanamine is sourced from PubChem (CID 106826825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).