2-(4-tert-butylphenoxy)-1-cyclohexyl-N-methylethanamine

C19H31NO — CID 104748472

IUPAC2-(4-tert-butylphenoxy)-1-cyclohexyl-N-methylethanamine
SMILESCNC(COc1ccc(C(C)(C)C)cc1)C1CCCCC1
InChIInChI=1S/C19H31NO/c1-19(2,3)16-10-12-17(13-11-16)21-14-18(20-4)15-8-6-5-7-9-15/h10-13,15,18,20H,5-9,14H2,1-4H3
InChIKeyWFMPXTSAHQAOBV-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.53
Rot. Bonds5

About 2-(4-tert-butylphenoxy)-1-cyclohexyl-N-methylethanamine

2-(4-tert-butylphenoxy)-1-cyclohexyl-N-methylethanamine (PubChem CID 104748472) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-1-cyclohexyl-N-methylethanamine.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-1-cyclohexyl-N-methylethanamine
PubChem CID104748472
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name2-(4-tert-butylphenoxy)-1-cyclohexyl-N-methylethanamine
SMILESCNC(COc1ccc(C(C)(C)C)cc1)C1CCCCC1
InChIInChI=1S/C19H31NO/c1-19(2,3)16-10-12-17(13-11-16)21-14-18(20-4)15-8-6-5-7-9-15/h10-13,15,18,20H,5-9,14H2,1-4H3
InChIKeyWFMPXTSAHQAOBV-UHFFFAOYSA-N
XLogP4.53
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 ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-N-methyl-2-naphthalen-2-yloxyethanamine
CID 104748601
1-cyclohexyl-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethanamine
CID 104749235
2-(2-tert-butylphenoxy)-1-cyclohexyl-N-methylethanamine
CID 104748352
1-cyclopentyl-2-(3,5-dimethylphenoxy)-N-methylethanamine
CID 113448551
2-(4-tert-butylphenoxy)-1-cyclopropylethanamine
CID 63914876
1-cyclohexyl-2-(2,6-dimethylphenoxy)-N-methylethanamine
CID 104748343
2-(4-tert-butylphenyl)sulfanyl-1-cyclopentyl-N-methylethanamine
CID 104755455
1-cyclohexyl-N-methyl-2-(2,3,6-trimethylphenoxy)ethanamine
CID 104749034
2-(4-chlorophenoxy)-N-methyl-1-(oxan-3-yl)ethanamine
CID 107139197
1-(4-tert-butylphenyl)-1-cyclooctyl-N-methylmethanamine
CID 65018209
N-[(4-tert-butylphenyl)methyl]cycloheptanamine
CID 28509997
2-(3-tert-butylphenoxy)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 104749046

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-1-cyclohexyl-N-methylethanamine?
The IUPAC name of 2-(4-tert-butylphenoxy)-1-cyclohexyl-N-methylethanamine (CID 104748472) is 2-(4-tert-butylphenoxy)-1-cyclohexyl-N-methylethanamine.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-1-cyclohexyl-N-methylethanamine?
The canonical SMILES for 2-(4-tert-butylphenoxy)-1-cyclohexyl-N-methylethanamine is CNC(COc1ccc(C(C)(C)C)cc1)C1CCCCC1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-1-cyclohexyl-N-methylethanamine?
The InChIKey is WFMPXTSAHQAOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-19(2,3)16-10-12-17(13-11-16)21-14-18(20-4)15-8-6-5-7-9-15/h10-13,15,18,20H,5-9,14H2,1-4H3.
What are the key properties of 2-(4-tert-butylphenoxy)-1-cyclohexyl-N-methylethanamine?
2-(4-tert-butylphenoxy)-1-cyclohexyl-N-methylethanamine has a molecular weight of 289.46 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-1-cyclohexyl-N-methylethanamine is sourced from PubChem (CID 104748472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).