5-(2-butan-2-ylphenoxy)-N-ethyl-2,2-dimethylcyclopentan-1-amine

C19H31NO — CID 79865771

IUPAC5-(2-butan-2-ylphenoxy)-N-ethyl-2,2-dimethylcyclopentan-1-amine
SMILESCCNC1C(Oc2ccccc2C(C)CC)CCC1(C)C
InChIInChI=1S/C19H31NO/c1-6-14(3)15-10-8-9-11-16(15)21-17-12-13-19(4,5)18(17)20-7-2/h8-11,14,17-18,20H,6-7,12-13H2,1-5H3
InChIKeyJXTWKLIQOSAVCM-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.75
Rot. Bonds6

About 5-(2-butan-2-ylphenoxy)-N-ethyl-2,2-dimethylcyclopentan-1-amine

5-(2-butan-2-ylphenoxy)-N-ethyl-2,2-dimethylcyclopentan-1-amine (PubChem CID 79865771) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 5-(2-butan-2-ylphenoxy)-N-ethyl-2,2-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name5-(2-butan-2-ylphenoxy)-N-ethyl-2,2-dimethylcyclopentan-1-amine
PubChem CID79865771
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name5-(2-butan-2-ylphenoxy)-N-ethyl-2,2-dimethylcyclopentan-1-amine
SMILESCCNC1C(Oc2ccccc2C(C)CC)CCC1(C)C
InChIInChI=1S/C19H31NO/c1-6-14(3)15-10-8-9-11-16(15)21-17-12-13-19(4,5)18(17)20-7-2/h8-11,14,17-18,20H,6-7,12-13H2,1-5H3
InChIKeyJXTWKLIQOSAVCM-UHFFFAOYSA-N
XLogP4.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(2-butan-2-ylphenoxy)-N-ethyl-2,2-dimethylcyclopentan-1-amine with MolForge

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Related Compounds

N-ethyl-2,2-dimethyl-5-(3-propan-2-ylphenoxy)cyclopentan-1-amine
CID 79860772
N-ethyl-2,2-dimethyl-5-(4-propylphenoxy)cyclopentan-1-amine
CID 79856403
5-(3,5-dimethoxyphenoxy)-N-ethyl-2,2-dimethylcyclopentan-1-amine
CID 79865785
5-(3,4-dimethylphenoxy)-N-ethyl-2,2-dimethylcyclopentan-1-amine
CID 79860446
[3-(2-butan-2-ylphenoxy)-1-(ethylamino)cyclopentyl]methanol
CID 79647774
N-ethyl-2,2-dimethyl-5-(3-methylbutoxy)cyclopentan-1-amine
CID 79856244
5-(2-fluoro-3-methylphenoxy)-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 107656973
3-(2-butan-2-ylphenoxy)-N-propylcyclopentan-1-amine
CID 79643366
N-ethyl-5-[4-(2-methoxyethyl)phenoxy]-2,2-dimethylcyclopentan-1-amine
CID 79865783
3-(2-butan-2-ylphenoxy)cyclobutan-1-one
CID 66368034
3-(2-butan-2-ylphenoxy)cyclopentan-1-amine
CID 79643132
methyl 1-amino-3-(2-butan-2-ylphenoxy)cyclopentane-1-carboxylate
CID 79647954

Frequently Asked Questions

What is the IUPAC name of 5-(2-butan-2-ylphenoxy)-N-ethyl-2,2-dimethylcyclopentan-1-amine?
The IUPAC name of 5-(2-butan-2-ylphenoxy)-N-ethyl-2,2-dimethylcyclopentan-1-amine (CID 79865771) is 5-(2-butan-2-ylphenoxy)-N-ethyl-2,2-dimethylcyclopentan-1-amine.
What is the SMILES notation for 5-(2-butan-2-ylphenoxy)-N-ethyl-2,2-dimethylcyclopentan-1-amine?
The canonical SMILES for 5-(2-butan-2-ylphenoxy)-N-ethyl-2,2-dimethylcyclopentan-1-amine is CCNC1C(Oc2ccccc2C(C)CC)CCC1(C)C.
What is the InChIKey of 5-(2-butan-2-ylphenoxy)-N-ethyl-2,2-dimethylcyclopentan-1-amine?
The InChIKey is JXTWKLIQOSAVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-6-14(3)15-10-8-9-11-16(15)21-17-12-13-19(4,5)18(17)20-7-2/h8-11,14,17-18,20H,6-7,12-13H2,1-5H3.
What are the key properties of 5-(2-butan-2-ylphenoxy)-N-ethyl-2,2-dimethylcyclopentan-1-amine?
5-(2-butan-2-ylphenoxy)-N-ethyl-2,2-dimethylcyclopentan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-butan-2-ylphenoxy)-N-ethyl-2,2-dimethylcyclopentan-1-amine is sourced from PubChem (CID 79865771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).