[2-[4-(2-methylbutan-2-yl)phenoxy]cyclohexyl]methanamine

C18H29NO — CID 43293934

IUPAC[2-[4-(2-methylbutan-2-yl)phenoxy]cyclohexyl]methanamine
SMILESCCC(C)(C)c1ccc(OC2CCCCC2CN)cc1
InChIInChI=1S/C18H29NO/c1-4-18(2,3)15-9-11-16(12-10-15)20-17-8-6-5-7-14(17)13-19/h9-12,14,17H,4-8,13,19H2,1-3H3
InChIKeyOOCDAHGZWBIOQH-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.27
Rot. Bonds5

About [2-[4-(2-methylbutan-2-yl)phenoxy]cyclohexyl]methanamine

[2-[4-(2-methylbutan-2-yl)phenoxy]cyclohexyl]methanamine (PubChem CID 43293934) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is [2-[4-(2-methylbutan-2-yl)phenoxy]cyclohexyl]methanamine.

Molecular Properties

Compound Name[2-[4-(2-methylbutan-2-yl)phenoxy]cyclohexyl]methanamine
PubChem CID43293934
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name[2-[4-(2-methylbutan-2-yl)phenoxy]cyclohexyl]methanamine
SMILESCCC(C)(C)c1ccc(OC2CCCCC2CN)cc1
InChIInChI=1S/C18H29NO/c1-4-18(2,3)15-9-11-16(12-10-15)20-17-8-6-5-7-14(17)13-19/h9-12,14,17H,4-8,13,19H2,1-3H3
InChIKeyOOCDAHGZWBIOQH-UHFFFAOYSA-N
XLogP4.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(2-methylbutan-2-yl)phenoxy]cyclopentan-1-amine
CID 43100661
[2-(4-methylphenoxy)cyclopentyl]methanamine
CID 43294044
4-[2-(aminomethyl)cyclohexyl]oxybenzoic acid
CID 117053471
[2-[4-(2-methoxyethyl)phenoxy]cyclohexyl]methanamine
CID 43294234
methyl 4-[2-(aminomethyl)cyclohexyl]oxybenzoate
CID 117053537
[2-(4-tert-butyl-2-methylphenoxy)cyclohexyl]methanamine
CID 43294229
[2-(3-tert-butylphenoxy)cyclopentyl]methanamine
CID 43294221
[2-[4-(2-methoxyethyl)phenoxy]cyclopentyl]methanamine
CID 43294230
[2-(4-tert-butyl-2-methylphenoxy)cycloheptyl]methanamine
CID 43294228
1-(cyclohexyloxymethoxy)-4-(2-methylbutan-2-yl)benzene
CID 89114083
2-ethoxy-3-[4-(2-methylbutan-2-yl)phenoxy]cyclobutan-1-ol
CID 104675287
[2-(3,5-dichlorophenoxy)cyclohexyl]methanamine
CID 43621910

Frequently Asked Questions

What is the IUPAC name of [2-[4-(2-methylbutan-2-yl)phenoxy]cyclohexyl]methanamine?
The IUPAC name of [2-[4-(2-methylbutan-2-yl)phenoxy]cyclohexyl]methanamine (CID 43293934) is [2-[4-(2-methylbutan-2-yl)phenoxy]cyclohexyl]methanamine.
What is the SMILES notation for [2-[4-(2-methylbutan-2-yl)phenoxy]cyclohexyl]methanamine?
The canonical SMILES for [2-[4-(2-methylbutan-2-yl)phenoxy]cyclohexyl]methanamine is CCC(C)(C)c1ccc(OC2CCCCC2CN)cc1.
What is the InChIKey of [2-[4-(2-methylbutan-2-yl)phenoxy]cyclohexyl]methanamine?
The InChIKey is OOCDAHGZWBIOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-18(2,3)15-9-11-16(12-10-15)20-17-8-6-5-7-14(17)13-19/h9-12,14,17H,4-8,13,19H2,1-3H3.
What are the key properties of [2-[4-(2-methylbutan-2-yl)phenoxy]cyclohexyl]methanamine?
[2-[4-(2-methylbutan-2-yl)phenoxy]cyclohexyl]methanamine has a molecular weight of 275.44 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(2-methylbutan-2-yl)phenoxy]cyclohexyl]methanamine is sourced from PubChem (CID 43293934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).