N-[[2-(3,4-dimethylcyclohexyl)oxy-3-methylphenyl]methyl]ethanamine

C18H29NO — CID 115952581

IUPACN-[[2-(3,4-dimethylcyclohexyl)oxy-3-methylphenyl]methyl]ethanamine
SMILESCCNCc1cccc(C)c1OC1CCC(C)C(C)C1
InChIInChI=1S/C18H29NO/c1-5-19-12-16-8-6-7-14(3)18(16)20-17-10-9-13(2)15(4)11-17/h6-8,13,15,17,19H,5,9-12H2,1-4H3
InChIKeyZVZGPSJLYPPADA-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.31
Rot. Bonds5

About N-[[2-(3,4-dimethylcyclohexyl)oxy-3-methylphenyl]methyl]ethanamine

N-[[2-(3,4-dimethylcyclohexyl)oxy-3-methylphenyl]methyl]ethanamine (PubChem CID 115952581) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[[2-(3,4-dimethylcyclohexyl)oxy-3-methylphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(3,4-dimethylcyclohexyl)oxy-3-methylphenyl]methyl]ethanamine
PubChem CID115952581
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-[[2-(3,4-dimethylcyclohexyl)oxy-3-methylphenyl]methyl]ethanamine
SMILESCCNCc1cccc(C)c1OC1CCC(C)C(C)C1
InChIInChI=1S/C18H29NO/c1-5-19-12-16-8-6-7-14(3)18(16)20-17-10-9-13(2)15(4)11-17/h6-8,13,15,17,19H,5,9-12H2,1-4H3
InChIKeyZVZGPSJLYPPADA-UHFFFAOYSA-N
XLogP4.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-bromo-2-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]ethanamine
CID 64739556
N-[[2-(4-ethylcyclohexyl)oxy-3-methylphenyl]methyl]ethanamine
CID 115952728
N-[(2-ethoxy-3-methylphenyl)methyl]ethanamine
CID 97179094
1-[3-bromo-2-(3,4-dimethylcyclohexyl)oxyphenyl]-N-methylmethanamine
CID 64739555
N-[[2-chloro-6-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]ethanamine
CID 114319168
N-[[5-bromo-2-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]ethanamine
CID 64739355
N-[[2-(3,5-dimethylcyclohexyl)oxy-3-methylphenyl]methyl]cyclopropanamine
CID 115953881
N-[[2-(3-methoxycyclohexyl)oxy-3-methylphenyl]methyl]propan-2-amine
CID 115954063
N-cyclopropyl-2-[2-(ethylaminomethyl)-6-methylphenoxy]propanamide
CID 115952731
[2-(3,5-dimethylcyclohexyl)oxy-3-methylphenyl]methanol
CID 112612421
N-[[3-bromo-2-(oxan-4-yloxy)phenyl]methyl]ethanamine
CID 63936416
[2-(3-ethylcyclohexyl)oxy-3-methylphenyl]methanamine
CID 112607468

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,4-dimethylcyclohexyl)oxy-3-methylphenyl]methyl]ethanamine?
The IUPAC name of N-[[2-(3,4-dimethylcyclohexyl)oxy-3-methylphenyl]methyl]ethanamine (CID 115952581) is N-[[2-(3,4-dimethylcyclohexyl)oxy-3-methylphenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(3,4-dimethylcyclohexyl)oxy-3-methylphenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(3,4-dimethylcyclohexyl)oxy-3-methylphenyl]methyl]ethanamine is CCNCc1cccc(C)c1OC1CCC(C)C(C)C1.
What is the InChIKey of N-[[2-(3,4-dimethylcyclohexyl)oxy-3-methylphenyl]methyl]ethanamine?
The InChIKey is ZVZGPSJLYPPADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-5-19-12-16-8-6-7-14(3)18(16)20-17-10-9-13(2)15(4)11-17/h6-8,13,15,17,19H,5,9-12H2,1-4H3.
What are the key properties of N-[[2-(3,4-dimethylcyclohexyl)oxy-3-methylphenyl]methyl]ethanamine?
N-[[2-(3,4-dimethylcyclohexyl)oxy-3-methylphenyl]methyl]ethanamine has a molecular weight of 275.44 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,4-dimethylcyclohexyl)oxy-3-methylphenyl]methyl]ethanamine is sourced from PubChem (CID 115952581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).