N-[(2,3-dimethylphenyl)-(1-methoxy-4-methylcyclohexyl)methyl]ethanamine

C19H31NO — CID 116766612

IUPACN-[(2,3-dimethylphenyl)-(1-methoxy-4-methylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1cccc(C)c1C)C1(OC)CCC(C)CC1
InChIInChI=1S/C19H31NO/c1-6-20-18(17-9-7-8-15(3)16(17)4)19(21-5)12-10-14(2)11-13-19/h7-9,14,18,20H,6,10-13H2,1-5H3
InChIKeyICUBPXCDUCMXGM-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.55
Rot. Bonds5

About N-[(2,3-dimethylphenyl)-(1-methoxy-4-methylcyclohexyl)methyl]ethanamine

N-[(2,3-dimethylphenyl)-(1-methoxy-4-methylcyclohexyl)methyl]ethanamine (PubChem CID 116766612) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-[(2,3-dimethylphenyl)-(1-methoxy-4-methylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,3-dimethylphenyl)-(1-methoxy-4-methylcyclohexyl)methyl]ethanamine
PubChem CID116766612
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-[(2,3-dimethylphenyl)-(1-methoxy-4-methylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1cccc(C)c1C)C1(OC)CCC(C)CC1
InChIInChI=1S/C19H31NO/c1-6-20-18(17-9-7-8-15(3)16(17)4)19(21-5)12-10-14(2)11-13-19/h7-9,14,18,20H,6,10-13H2,1-5H3
InChIKeyICUBPXCDUCMXGM-UHFFFAOYSA-N
XLogP4.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,5-dimethylphenyl)-(1-methoxy-4-methylcyclohexyl)methyl]ethanamine
CID 116766686
N-[(1-ethoxy-4-methylcyclohexyl)-(2-methylthiophen-3-yl)methyl]ethanamine
CID 102833988
N-[(2-fluorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]ethanamine
CID 116769648
N-[(1-methoxy-4-methylcyclohexyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 116766820
N-ethyl-1-(1-methoxy-4-methylcyclohexyl)ethanamine
CID 116766647
N-[(1-methoxy-4,4-dimethylcyclohexyl)-(2-methylthiophen-3-yl)methyl]ethanamine
CID 102834015
N-ethyl-1-(1-methoxy-4-methylcyclohexyl)-3-thiophen-2-ylpropan-1-amine
CID 116766642
1-(2,4-dimethylphenyl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylmethanamine
CID 116766426
[(2-chlorophenyl)-(1-methoxy-4-methylcyclohexyl)methyl]hydrazine
CID 105276997
N-[(2,3-difluorophenyl)-(4-methoxyoxan-4-yl)methyl]ethanamine
CID 116765066
N-[cyclobutyl-(2,3-dimethylphenyl)methyl]ethanamine
CID 64986462
N-[(1-ethoxycyclopentyl)-(2-methylphenyl)methyl]ethanamine
CID 116762278

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethylphenyl)-(1-methoxy-4-methylcyclohexyl)methyl]ethanamine?
The IUPAC name of N-[(2,3-dimethylphenyl)-(1-methoxy-4-methylcyclohexyl)methyl]ethanamine (CID 116766612) is N-[(2,3-dimethylphenyl)-(1-methoxy-4-methylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,3-dimethylphenyl)-(1-methoxy-4-methylcyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[(2,3-dimethylphenyl)-(1-methoxy-4-methylcyclohexyl)methyl]ethanamine is CCNC(c1cccc(C)c1C)C1(OC)CCC(C)CC1.
What is the InChIKey of N-[(2,3-dimethylphenyl)-(1-methoxy-4-methylcyclohexyl)methyl]ethanamine?
The InChIKey is ICUBPXCDUCMXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-6-20-18(17-9-7-8-15(3)16(17)4)19(21-5)12-10-14(2)11-13-19/h7-9,14,18,20H,6,10-13H2,1-5H3.
What are the key properties of N-[(2,3-dimethylphenyl)-(1-methoxy-4-methylcyclohexyl)methyl]ethanamine?
N-[(2,3-dimethylphenyl)-(1-methoxy-4-methylcyclohexyl)methyl]ethanamine has a molecular weight of 289.46 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethylphenyl)-(1-methoxy-4-methylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 116766612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).