4-tert-butyl-2-(2-phenoxyethoxy)cyclohexan-1-amine

C18H29NO2 — CID 43100600

IUPAC4-tert-butyl-2-(2-phenoxyethoxy)cyclohexan-1-amine
SMILESCC(C)(C)C1CCC(N)C(OCCOc2ccccc2)C1
InChIInChI=1S/C18H29NO2/c1-18(2,3)14-9-10-16(19)17(13-14)21-12-11-20-15-7-5-4-6-8-15/h4-8,14,16-17H,9-13,19H2,1-3H3
InChIKeyUXXJUCPPZLMBOK-UHFFFAOYSA-N
MW291.43 g/mol
LogP3.62
Rot. Bonds5

About 4-tert-butyl-2-(2-phenoxyethoxy)cyclohexan-1-amine

4-tert-butyl-2-(2-phenoxyethoxy)cyclohexan-1-amine (PubChem CID 43100600) has the molecular formula C18H29NO2 and a molecular weight of 291.43 g/mol. Its IUPAC name is 4-tert-butyl-2-(2-phenoxyethoxy)cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-2-(2-phenoxyethoxy)cyclohexan-1-amine
PubChem CID43100600
Molecular FormulaC18H29NO2
Molecular Weight291.43 g/mol
Exact Mass291.22
IUPAC Name4-tert-butyl-2-(2-phenoxyethoxy)cyclohexan-1-amine
SMILESCC(C)(C)C1CCC(N)C(OCCOc2ccccc2)C1
InChIInChI=1S/C18H29NO2/c1-18(2,3)14-9-10-16(19)17(13-14)21-12-11-20-15-7-5-4-6-8-15/h4-8,14,16-17H,9-13,19H2,1-3H3
InChIKeyUXXJUCPPZLMBOK-UHFFFAOYSA-N
XLogP3.62
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.43
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(5-tert-butyl-2-chlorocyclohexyl)ethoxybenzene
CID 63459706
4-tert-butyl-2-phenoxycyclohexan-1-ol
CID 13083812
(1S,2S,4S)-4-tert-butyl-2-phenoxycyclohexan-1-ol
CID 134851206
2,2-dimethyl-6-(2-phenoxyethoxy)cyclohexan-1-amine
CID 79836751
4-tert-butyl-2-(3-propan-2-ylphenoxy)cyclohexan-1-amine
CID 43097367
4-tert-butyl-2-(2-methoxyphenoxy)cyclohexan-1-amine
CID 43093468
4-tert-butyl-N-ethyl-2-phenoxycyclohexan-1-amine
CID 63474712
4-tert-butyl-2-(2-phenylethyl)cyclohexan-1-amine
CID 81013816
4-tert-butyl-N-(2-phenoxyethyl)cycloheptan-1-amine
CID 65089931
2-benzylsulfanyl-4-tert-butylcyclohexan-1-amine
CID 64620611
2-(3-ethylphenoxy)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 43111213
3-(2-phenoxyethoxy)spiro[3.4]octan-1-amine
CID 66357773

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(2-phenoxyethoxy)cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-2-(2-phenoxyethoxy)cyclohexan-1-amine (CID 43100600) is 4-tert-butyl-2-(2-phenoxyethoxy)cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-2-(2-phenoxyethoxy)cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-2-(2-phenoxyethoxy)cyclohexan-1-amine is CC(C)(C)C1CCC(N)C(OCCOc2ccccc2)C1.
What is the InChIKey of 4-tert-butyl-2-(2-phenoxyethoxy)cyclohexan-1-amine?
The InChIKey is UXXJUCPPZLMBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-18(2,3)14-9-10-16(19)17(13-14)21-12-11-20-15-7-5-4-6-8-15/h4-8,14,16-17H,9-13,19H2,1-3H3.
What are the key properties of 4-tert-butyl-2-(2-phenoxyethoxy)cyclohexan-1-amine?
4-tert-butyl-2-(2-phenoxyethoxy)cyclohexan-1-amine has a molecular weight of 291.43 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(2-phenoxyethoxy)cyclohexan-1-amine is sourced from PubChem (CID 43100600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).