1-(aminomethyl)-2-methoxy-N-methyl-N-[(2-methylphenyl)methyl]cyclohexan-1-amine

C17H28N2O — CID 106872252

IUPAC1-(aminomethyl)-2-methoxy-N-methyl-N-[(2-methylphenyl)methyl]cyclohexan-1-amine
SMILESCOC1CCCCC1(CN)N(C)Cc1ccccc1C
InChIInChI=1S/C17H28N2O/c1-14-8-4-5-9-15(14)12-19(2)17(13-18)11-7-6-10-16(17)20-3/h4-5,8-9,16H,6-7,10-13,18H2,1-3H3
InChIKeyPGQUNUSXZDWXSZ-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.71
Rot. Bonds5

About 1-(aminomethyl)-2-methoxy-N-methyl-N-[(2-methylphenyl)methyl]cyclohexan-1-amine

1-(aminomethyl)-2-methoxy-N-methyl-N-[(2-methylphenyl)methyl]cyclohexan-1-amine (PubChem CID 106872252) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-(aminomethyl)-2-methoxy-N-methyl-N-[(2-methylphenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-2-methoxy-N-methyl-N-[(2-methylphenyl)methyl]cyclohexan-1-amine
PubChem CID106872252
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-(aminomethyl)-2-methoxy-N-methyl-N-[(2-methylphenyl)methyl]cyclohexan-1-amine
SMILESCOC1CCCCC1(CN)N(C)Cc1ccccc1C
InChIInChI=1S/C17H28N2O/c1-14-8-4-5-9-15(14)12-19(2)17(13-18)11-7-6-10-16(17)20-3/h4-5,8-9,16H,6-7,10-13,18H2,1-3H3
InChIKeyPGQUNUSXZDWXSZ-UHFFFAOYSA-N
XLogP2.71
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-2-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclohexan-1-amine
CID 106872195
1-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]-2-methylsulfonylcyclopentan-1-amine
CID 65046188
1-(aminomethyl)-N-ethyl-2-methoxy-N-methylcyclohexan-1-amine
CID 106872163
1-(aminomethyl)-2-methoxy-N-methyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 106872482
1-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-amine
CID 82853847
1-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-2-methoxy-N-methylcyclohexan-1-amine
CID 106872470
1-(aminomethyl)-N-cyclobutyl-2-methoxy-N-methylcyclohexan-1-amine
CID 106872758
1-(aminomethyl)-N,4-dimethyl-N-[(2-methylphenyl)methyl]cycloheptan-1-amine
CID 65084666
1-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N,2,3-trimethylcyclohexan-1-amine
CID 64762340
1-(aminomethyl)-N,3-dimethyl-N-[(2-methylphenyl)methyl]cyclopentan-1-amine
CID 64501771
1-(aminomethyl)-2-methoxy-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine
CID 106872505
1-(aminomethyl)-N-butan-2-yl-2-methoxy-N-methylcyclohexan-1-amine
CID 106872183

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-2-methoxy-N-methyl-N-[(2-methylphenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-2-methoxy-N-methyl-N-[(2-methylphenyl)methyl]cyclohexan-1-amine (CID 106872252) is 1-(aminomethyl)-2-methoxy-N-methyl-N-[(2-methylphenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-2-methoxy-N-methyl-N-[(2-methylphenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-2-methoxy-N-methyl-N-[(2-methylphenyl)methyl]cyclohexan-1-amine is COC1CCCCC1(CN)N(C)Cc1ccccc1C.
What is the InChIKey of 1-(aminomethyl)-2-methoxy-N-methyl-N-[(2-methylphenyl)methyl]cyclohexan-1-amine?
The InChIKey is PGQUNUSXZDWXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-14-8-4-5-9-15(14)12-19(2)17(13-18)11-7-6-10-16(17)20-3/h4-5,8-9,16H,6-7,10-13,18H2,1-3H3.
What are the key properties of 1-(aminomethyl)-2-methoxy-N-methyl-N-[(2-methylphenyl)methyl]cyclohexan-1-amine?
1-(aminomethyl)-2-methoxy-N-methyl-N-[(2-methylphenyl)methyl]cyclohexan-1-amine has a molecular weight of 276.42 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-2-methoxy-N-methyl-N-[(2-methylphenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 106872252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).