1-(2,4-dimethylphenyl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylmethanamine

C18H29NO — CID 116766426

IUPAC1-(2,4-dimethylphenyl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylmethanamine
SMILESCNC(c1ccc(C)cc1C)C1(OC)CCC(C)CC1
InChIInChI=1S/C18H29NO/c1-13-8-10-18(20-5,11-9-13)17(19-4)16-7-6-14(2)12-15(16)3/h6-7,12-13,17,19H,8-11H2,1-5H3
InChIKeyJAOBPXJMXZWCKD-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.16
Rot. Bonds4

About 1-(2,4-dimethylphenyl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylmethanamine

1-(2,4-dimethylphenyl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylmethanamine (PubChem CID 116766426) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylmethanamine
PubChem CID116766426
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-(2,4-dimethylphenyl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylmethanamine
SMILESCNC(c1ccc(C)cc1C)C1(OC)CCC(C)CC1
InChIInChI=1S/C18H29NO/c1-13-8-10-18(20-5,11-9-13)17(19-4)16-7-6-14(2)12-15(16)3/h6-7,12-13,17,19H,8-11H2,1-5H3
InChIKeyJAOBPXJMXZWCKD-UHFFFAOYSA-N
XLogP4.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluoro-3-methylphenyl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylmethanamine
CID 116766499
1-(5-chloro-2-methoxyphenyl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylmethanamine
CID 116766450
1-(1-methoxycycloheptyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 116770175
1-(4-fluoro-2-methylphenyl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine
CID 116764677
1-(4-methoxyoxan-4-yl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 116764773
1-(1-methoxycyclobutyl)-1-(4-methoxy-2,5-dimethylphenyl)-N-methylmethanamine
CID 116714296
1-[(2-fluoro-5-methylphenyl)-(methylamino)methyl]-N,N,4-trimethylcyclohexan-1-amine
CID 79061551
1-(1-methoxy-4-methylcyclohexyl)-N-methyl-1-pyridin-3-ylmethanamine
CID 116766472
(2,4-dimethylphenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanamine
CID 116769039
1-[1-(aminomethyl)cyclobutyl]-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 116958764
N-[(3,5-dimethylphenyl)-(1-methoxy-4-methylcyclohexyl)methyl]ethanamine
CID 116766686
N-[(2,3-dimethylphenyl)-(1-methoxy-4-methylcyclohexyl)methyl]ethanamine
CID 116766612

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylmethanamine?
The IUPAC name of 1-(2,4-dimethylphenyl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylmethanamine (CID 116766426) is 1-(2,4-dimethylphenyl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylmethanamine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylmethanamine is CNC(c1ccc(C)cc1C)C1(OC)CCC(C)CC1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylmethanamine?
The InChIKey is JAOBPXJMXZWCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-13-8-10-18(20-5,11-9-13)17(19-4)16-7-6-14(2)12-15(16)3/h6-7,12-13,17,19H,8-11H2,1-5H3.
What are the key properties of 1-(2,4-dimethylphenyl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylmethanamine?
1-(2,4-dimethylphenyl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylmethanamine has a molecular weight of 275.44 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylmethanamine is sourced from PubChem (CID 116766426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).