[2-(4-tert-butyl-2-methylphenoxy)cyclohexyl]methanamine

C18H29NO — CID 43294229

IUPAC[2-(4-tert-butyl-2-methylphenoxy)cyclohexyl]methanamine
SMILESCc1cc(C(C)(C)C)ccc1OC1CCCCC1CN
InChIInChI=1S/C18H29NO/c1-13-11-15(18(2,3)4)9-10-16(13)20-17-8-6-5-7-14(17)12-19/h9-11,14,17H,5-8,12,19H2,1-4H3
InChIKeySORWYDBTEWKVTJ-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.19
Rot. Bonds3

About [2-(4-tert-butyl-2-methylphenoxy)cyclohexyl]methanamine

[2-(4-tert-butyl-2-methylphenoxy)cyclohexyl]methanamine (PubChem CID 43294229) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is [2-(4-tert-butyl-2-methylphenoxy)cyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(4-tert-butyl-2-methylphenoxy)cyclohexyl]methanamine
PubChem CID43294229
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name[2-(4-tert-butyl-2-methylphenoxy)cyclohexyl]methanamine
SMILESCc1cc(C(C)(C)C)ccc1OC1CCCCC1CN
InChIInChI=1S/C18H29NO/c1-13-11-15(18(2,3)4)9-10-16(13)20-17-8-6-5-7-14(17)12-19/h9-11,14,17H,5-8,12,19H2,1-4H3
InChIKeySORWYDBTEWKVTJ-UHFFFAOYSA-N
XLogP4.19
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 ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [2-(4-tert-butyl-2-methylphenoxy)cyclohexyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(4-tert-butyl-2-methylphenoxy)cycloheptyl]methanamine
CID 43294228
[2-(2-methylphenoxy)cyclopentyl]methanamine
CID 43293964
[2-(2,3,5-trimethylphenoxy)cycloheptyl]methanamine
CID 43294102
[2-(3-tert-butylphenoxy)cyclopentyl]methanamine
CID 43294221
[2-(2,4-dichlorophenoxy)cyclohexyl]methanamine
CID 43531169
2-(4-tert-butyl-2-methylphenoxy)-N-propylcyclopentan-1-amine
CID 63499440
[2-[4-(2-methylbutan-2-yl)phenoxy]cyclohexyl]methanamine
CID 43293934
[2-(2,4-dichlorophenoxy)cyclopentyl]methanamine
CID 43531164
2-[2-(aminomethyl)cyclohexyl]oxy-4-fluoroaniline
CID 117095540
[2-(4-methylphenoxy)cyclopentyl]methanamine
CID 43294044
4-(2-ethylcyclohexyl)oxy-3-methylbenzenesulfonyl chloride
CID 63863945
4-(4-tert-butyl-2-methylphenoxy)piperidine
CID 43351932

Frequently Asked Questions

What is the IUPAC name of [2-(4-tert-butyl-2-methylphenoxy)cyclohexyl]methanamine?
The IUPAC name of [2-(4-tert-butyl-2-methylphenoxy)cyclohexyl]methanamine (CID 43294229) is [2-(4-tert-butyl-2-methylphenoxy)cyclohexyl]methanamine.
What is the SMILES notation for [2-(4-tert-butyl-2-methylphenoxy)cyclohexyl]methanamine?
The canonical SMILES for [2-(4-tert-butyl-2-methylphenoxy)cyclohexyl]methanamine is Cc1cc(C(C)(C)C)ccc1OC1CCCCC1CN.
What is the InChIKey of [2-(4-tert-butyl-2-methylphenoxy)cyclohexyl]methanamine?
The InChIKey is SORWYDBTEWKVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-13-11-15(18(2,3)4)9-10-16(13)20-17-8-6-5-7-14(17)12-19/h9-11,14,17H,5-8,12,19H2,1-4H3.
What are the key properties of [2-(4-tert-butyl-2-methylphenoxy)cyclohexyl]methanamine?
[2-(4-tert-butyl-2-methylphenoxy)cyclohexyl]methanamine has a molecular weight of 275.44 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-tert-butyl-2-methylphenoxy)cyclohexyl]methanamine is sourced from PubChem (CID 43294229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).