1-cyclohexyl-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)ethanamine

C19H31NO — CID 104748451

IUPAC1-cyclohexyl-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)ethanamine
SMILESCNC(COc1cc(C)ccc1C(C)C)C1CCCCC1
InChIInChI=1S/C19H31NO/c1-14(2)17-11-10-15(3)12-19(17)21-13-18(20-4)16-8-6-5-7-9-16/h10-12,14,16,18,20H,5-9,13H2,1-4H3
InChIKeyZCNTVCVLORYDNL-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.67
Rot. Bonds6

About 1-cyclohexyl-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)ethanamine

1-cyclohexyl-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)ethanamine (PubChem CID 104748451) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 1-cyclohexyl-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)ethanamine.

Molecular Properties

Compound Name1-cyclohexyl-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)ethanamine
PubChem CID104748451
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name1-cyclohexyl-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)ethanamine
SMILESCNC(COc1cc(C)ccc1C(C)C)C1CCCCC1
InChIInChI=1S/C19H31NO/c1-14(2)17-11-10-15(3)12-19(17)21-13-18(20-4)16-8-6-5-7-9-16/h10-12,14,16,18,20H,5-9,13H2,1-4H3
InChIKeyZCNTVCVLORYDNL-UHFFFAOYSA-N
XLogP4.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-4-methylphenoxy)-1-cyclohexyl-N-methylethanamine
CID 104749395
1-cyclopentyl-2-(2-methoxy-4-methylphenoxy)-N-methylethanamine
CID 104748636
1-cyclopropyl-N-methyl-2-(2-propan-2-ylphenoxy)ethanamine
CID 63915324
N-cyclohexyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 94840112
(2S)-1-(dicyclohexylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol
CID 35583289
1-(cyclopentylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol;oxalic acid
CID 18593407
1-cyclopentyl-2-(3,5-dimethylphenoxy)-N-methylethanamine
CID 113448551
2-(5-chloro-2-methylphenoxy)-1-cyclohexyl-N-methylethanamine
CID 104749564
1-cyclopropyl-N-methyl-2-(2,3,5-trimethylphenoxy)ethanamine
CID 63907720
(5-methyl-2-propan-2-ylphenyl) N-cyclohexylcarbamate
CID 134151064
(2R)-1-(methylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol
CID 41300592
1-cyclohexyl-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]thiourea
CID 1181912

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)ethanamine?
The IUPAC name of 1-cyclohexyl-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)ethanamine (CID 104748451) is 1-cyclohexyl-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)ethanamine.
What is the SMILES notation for 1-cyclohexyl-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)ethanamine?
The canonical SMILES for 1-cyclohexyl-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)ethanamine is CNC(COc1cc(C)ccc1C(C)C)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)ethanamine?
The InChIKey is ZCNTVCVLORYDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-14(2)17-11-10-15(3)12-19(17)21-13-18(20-4)16-8-6-5-7-9-16/h10-12,14,16,18,20H,5-9,13H2,1-4H3.
What are the key properties of 1-cyclohexyl-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)ethanamine?
1-cyclohexyl-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)ethanamine has a molecular weight of 289.46 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)ethanamine is sourced from PubChem (CID 104748451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).