N-methyl-1-(2-methylphenyl)-2-(3,3,5-trimethylcyclohexyl)oxyethanamine

C19H31NO — CID 63475452

IUPACN-methyl-1-(2-methylphenyl)-2-(3,3,5-trimethylcyclohexyl)oxyethanamine
SMILESCNC(COC1CC(C)CC(C)(C)C1)c1ccccc1C
InChIInChI=1S/C19H31NO/c1-14-10-16(12-19(3,4)11-14)21-13-18(20-5)17-9-7-6-8-15(17)2/h6-9,14,16,18,20H,10-13H2,1-5H3
InChIKeyRWADTBJBKVRSLG-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.49
Rot. Bonds5

About N-methyl-1-(2-methylphenyl)-2-(3,3,5-trimethylcyclohexyl)oxyethanamine

N-methyl-1-(2-methylphenyl)-2-(3,3,5-trimethylcyclohexyl)oxyethanamine (PubChem CID 63475452) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-methyl-1-(2-methylphenyl)-2-(3,3,5-trimethylcyclohexyl)oxyethanamine.

Molecular Properties

Compound NameN-methyl-1-(2-methylphenyl)-2-(3,3,5-trimethylcyclohexyl)oxyethanamine
PubChem CID63475452
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-methyl-1-(2-methylphenyl)-2-(3,3,5-trimethylcyclohexyl)oxyethanamine
SMILESCNC(COC1CC(C)CC(C)(C)C1)c1ccccc1C
InChIInChI=1S/C19H31NO/c1-14-10-16(12-19(3,4)11-14)21-13-18(20-5)17-9-7-6-8-15(17)2/h6-9,14,16,18,20H,10-13H2,1-5H3
InChIKeyRWADTBJBKVRSLG-UHFFFAOYSA-N
XLogP4.49
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 ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-bromo-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-yl]benzene
CID 65016054
2-(3,4-dimethylcyclohexyl)oxy-N-ethyl-1-(2-methylphenyl)ethanamine
CID 64744360
N-methyl-1-(2-methylphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine
CID 106447365
(2R)-1-(4-benzylpiperazine-1,4-diium-1-yl)-3-[(1R,5R)-3,3,5-trimethylcyclohexyl]oxypropane-2-thiol
CID 7087426
(2R)-1-(4-benzylpiperazine-1,4-diium-1-yl)-3-[(1S,5R)-3,3,5-trimethylcyclohexyl]oxypropan-2-ol
CID 7493647
N-methyl-2-[4-[(3,3,5-trimethylcyclohexyl)oxymethyl]phenyl]ethanamine
CID 105349666
(2S)-1-(4-phenylpiperazin-1-yl)-3-[(1R,5R)-3,3,5-trimethylcyclohexyl]oxypropane-2-thiol
CID 1220362
1-(4-benzylpiperazin-1-yl)-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol
CID 2892075
1-amino-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol
CID 2770887
N-methyl-1-(2-methylphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine
CID 114592756
1-bromo-4-[(3,3,5-trimethylcyclohexyl)oxymethyl]benzene
CID 63458050
N-tert-butyl-2-methyl-3-(3,3,5-trimethylcyclohexyl)oxypropan-1-amine
CID 103074527

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylphenyl)-2-(3,3,5-trimethylcyclohexyl)oxyethanamine?
The IUPAC name of N-methyl-1-(2-methylphenyl)-2-(3,3,5-trimethylcyclohexyl)oxyethanamine (CID 63475452) is N-methyl-1-(2-methylphenyl)-2-(3,3,5-trimethylcyclohexyl)oxyethanamine.
What is the SMILES notation for N-methyl-1-(2-methylphenyl)-2-(3,3,5-trimethylcyclohexyl)oxyethanamine?
The canonical SMILES for N-methyl-1-(2-methylphenyl)-2-(3,3,5-trimethylcyclohexyl)oxyethanamine is CNC(COC1CC(C)CC(C)(C)C1)c1ccccc1C.
What is the InChIKey of N-methyl-1-(2-methylphenyl)-2-(3,3,5-trimethylcyclohexyl)oxyethanamine?
The InChIKey is RWADTBJBKVRSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-14-10-16(12-19(3,4)11-14)21-13-18(20-5)17-9-7-6-8-15(17)2/h6-9,14,16,18,20H,10-13H2,1-5H3.
What are the key properties of N-methyl-1-(2-methylphenyl)-2-(3,3,5-trimethylcyclohexyl)oxyethanamine?
N-methyl-1-(2-methylphenyl)-2-(3,3,5-trimethylcyclohexyl)oxyethanamine has a molecular weight of 289.46 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylphenyl)-2-(3,3,5-trimethylcyclohexyl)oxyethanamine is sourced from PubChem (CID 63475452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).