[2-(3-tert-butylphenoxy)-4-methylcyclohexyl]methanamine

C18H29NO — CID 43294223

IUPAC[2-(3-tert-butylphenoxy)-4-methylcyclohexyl]methanamine
SMILESCC1CCC(CN)C(Oc2cccc(C(C)(C)C)c2)C1
InChIInChI=1S/C18H29NO/c1-13-8-9-14(12-19)17(10-13)20-16-7-5-6-15(11-16)18(2,3)4/h5-7,11,13-14,17H,8-10,12,19H2,1-4H3
InChIKeyZMEZYQMKVYKZAO-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.13
Rot. Bonds3

About [2-(3-tert-butylphenoxy)-4-methylcyclohexyl]methanamine

[2-(3-tert-butylphenoxy)-4-methylcyclohexyl]methanamine (PubChem CID 43294223) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is [2-(3-tert-butylphenoxy)-4-methylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(3-tert-butylphenoxy)-4-methylcyclohexyl]methanamine
PubChem CID43294223
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name[2-(3-tert-butylphenoxy)-4-methylcyclohexyl]methanamine
SMILESCC1CCC(CN)C(Oc2cccc(C(C)(C)C)c2)C1
InChIInChI=1S/C18H29NO/c1-13-8-9-14(12-19)17(10-13)20-16-7-5-6-15(11-16)18(2,3)4/h5-7,11,13-14,17H,8-10,12,19H2,1-4H3
InChIKeyZMEZYQMKVYKZAO-UHFFFAOYSA-N
XLogP4.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-methyl-2-[3-(trifluoromethyl)phenoxy]cyclohexyl]methanamine
CID 43294072
[2-(3-methoxyphenoxy)-4-methylcyclohexyl]methanamine
CID 43293897
[2-(3-tert-butylphenoxy)cyclopentyl]methanamine
CID 43294221
[2-(4-ethoxyphenoxy)-4-methylcyclohexyl]methanamine
CID 43293855
2-(3-methoxyphenoxy)-4-methylcyclohexan-1-amine
CID 16788224
[2-(2-methoxyphenoxy)-4-methylcyclohexyl]methanamine
CID 43293992
2-(3-tert-butylphenoxy)-3,5-dimethylcyclohexan-1-amine
CID 64751397
[2-(2-fluorophenoxy)-4-methylcyclohexyl]methanamine
CID 43293926
[2-(2,4-dichlorophenoxy)-4-methylcyclohexyl]methanamine
CID 43531167
[2-(2-ethylphenoxy)-4-methylcyclohexyl]methanamine
CID 43294242
[4-methyl-2-(2,3,6-trimethylphenoxy)cyclohexyl]methanamine
CID 43428941
[2-(2-methoxy-4-methylphenoxy)-4-methylcyclohexyl]methanamine
CID 43294041

Frequently Asked Questions

What is the IUPAC name of [2-(3-tert-butylphenoxy)-4-methylcyclohexyl]methanamine?
The IUPAC name of [2-(3-tert-butylphenoxy)-4-methylcyclohexyl]methanamine (CID 43294223) is [2-(3-tert-butylphenoxy)-4-methylcyclohexyl]methanamine.
What is the SMILES notation for [2-(3-tert-butylphenoxy)-4-methylcyclohexyl]methanamine?
The canonical SMILES for [2-(3-tert-butylphenoxy)-4-methylcyclohexyl]methanamine is CC1CCC(CN)C(Oc2cccc(C(C)(C)C)c2)C1.
What is the InChIKey of [2-(3-tert-butylphenoxy)-4-methylcyclohexyl]methanamine?
The InChIKey is ZMEZYQMKVYKZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-13-8-9-14(12-19)17(10-13)20-16-7-5-6-15(11-16)18(2,3)4/h5-7,11,13-14,17H,8-10,12,19H2,1-4H3.
What are the key properties of [2-(3-tert-butylphenoxy)-4-methylcyclohexyl]methanamine?
[2-(3-tert-butylphenoxy)-4-methylcyclohexyl]methanamine has a molecular weight of 275.44 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-tert-butylphenoxy)-4-methylcyclohexyl]methanamine is sourced from PubChem (CID 43294223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).