3-(3-tert-butylphenoxy)-N-methylcyclohexan-1-amine

C17H27NO — CID 79618131

IUPAC3-(3-tert-butylphenoxy)-N-methylcyclohexan-1-amine
SMILESCNC1CCCC(Oc2cccc(C(C)(C)C)c2)C1
InChIInChI=1S/C17H27NO/c1-17(2,3)13-7-5-9-15(11-13)19-16-10-6-8-14(12-16)18-4/h5,7,9,11,14,16,18H,6,8,10,12H2,1-4H3
InChIKeyRCNXOGRXLYYMNE-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.89
Rot. Bonds3

About 3-(3-tert-butylphenoxy)-N-methylcyclohexan-1-amine

3-(3-tert-butylphenoxy)-N-methylcyclohexan-1-amine (PubChem CID 79618131) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 3-(3-tert-butylphenoxy)-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name3-(3-tert-butylphenoxy)-N-methylcyclohexan-1-amine
PubChem CID79618131
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name3-(3-tert-butylphenoxy)-N-methylcyclohexan-1-amine
SMILESCNC1CCCC(Oc2cccc(C(C)(C)C)c2)C1
InChIInChI=1S/C17H27NO/c1-17(2,3)13-7-5-9-15(11-13)19-16-10-6-8-14(12-16)18-4/h5,7,9,11,14,16,18H,6,8,10,12H2,1-4H3
InChIKeyRCNXOGRXLYYMNE-UHFFFAOYSA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-3-phenoxycyclohexan-1-amine
CID 79618884
3-(3-ethoxyphenoxy)-N-methylcyclopentan-1-amine
CID 79632551
1-cyclobutyloxy-3-(trifluoromethyl)benzene
CID 124519367
3-(3-ethoxyphenoxy)-N-ethylcyclohexan-1-amine
CID 79618027
4-(3-cyclopropyloxyphenyl)-N,4-dimethylpentan-2-amine
CID 114523014
6-(3-tert-butylphenoxy)-N,2,2-trimethylcyclohexan-1-amine
CID 79835479
1-(3-cyclopropyloxyphenyl)-1-phenylethanol
CID 114520749
3-(2,3-difluorophenoxy)-N-methylcyclohexan-1-amine
CID 79618474
[2-(3-tert-butylphenoxy)cyclopentyl]methanamine
CID 43294221
(3-methylphenoxy)cyclononane
CID 145391482
1-amino-3-(3-tert-butylphenoxy)cyclohexane-1-carboxylic acid
CID 79635261
3-(3-tert-butylphenoxy)-2-ethoxy-N-methylcyclobutan-1-amine
CID 104676314

Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butylphenoxy)-N-methylcyclohexan-1-amine?
The IUPAC name of 3-(3-tert-butylphenoxy)-N-methylcyclohexan-1-amine (CID 79618131) is 3-(3-tert-butylphenoxy)-N-methylcyclohexan-1-amine.
What is the SMILES notation for 3-(3-tert-butylphenoxy)-N-methylcyclohexan-1-amine?
The canonical SMILES for 3-(3-tert-butylphenoxy)-N-methylcyclohexan-1-amine is CNC1CCCC(Oc2cccc(C(C)(C)C)c2)C1.
What is the InChIKey of 3-(3-tert-butylphenoxy)-N-methylcyclohexan-1-amine?
The InChIKey is RCNXOGRXLYYMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-17(2,3)13-7-5-9-15(11-13)19-16-10-6-8-14(12-16)18-4/h5,7,9,11,14,16,18H,6,8,10,12H2,1-4H3.
What are the key properties of 3-(3-tert-butylphenoxy)-N-methylcyclohexan-1-amine?
3-(3-tert-butylphenoxy)-N-methylcyclohexan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butylphenoxy)-N-methylcyclohexan-1-amine is sourced from PubChem (CID 79618131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).