1-(aminomethyl)-2-[2-(4-tert-butylphenoxy)ethyl]cyclopentan-1-ol

C18H29NO2 — CID 79587994

IUPAC1-(aminomethyl)-2-[2-(4-tert-butylphenoxy)ethyl]cyclopentan-1-ol
SMILESCC(C)(C)c1ccc(OCCC2CCCC2(O)CN)cc1
InChIInChI=1S/C18H29NO2/c1-17(2,3)14-6-8-16(9-7-14)21-12-10-15-5-4-11-18(15,20)13-19/h6-9,15,20H,4-5,10-13,19H2,1-3H3
InChIKeyFHVLYDJQMQBVIM-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.24
Rot. Bonds5

About 1-(aminomethyl)-2-[2-(4-tert-butylphenoxy)ethyl]cyclopentan-1-ol

1-(aminomethyl)-2-[2-(4-tert-butylphenoxy)ethyl]cyclopentan-1-ol (PubChem CID 79587994) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-(aminomethyl)-2-[2-(4-tert-butylphenoxy)ethyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-(aminomethyl)-2-[2-(4-tert-butylphenoxy)ethyl]cyclopentan-1-ol
PubChem CID79587994
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name1-(aminomethyl)-2-[2-(4-tert-butylphenoxy)ethyl]cyclopentan-1-ol
SMILESCC(C)(C)c1ccc(OCCC2CCCC2(O)CN)cc1
InChIInChI=1S/C18H29NO2/c1-17(2,3)14-6-8-16(9-7-14)21-12-10-15-5-4-11-18(15,20)13-19/h6-9,15,20H,4-5,10-13,19H2,1-3H3
InChIKeyFHVLYDJQMQBVIM-UHFFFAOYSA-N
XLogP3.24
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-2-[2-(2-tert-butylphenoxy)ethyl]cyclopentan-1-ol
CID 79587114
1-(aminomethyl)-2-[2-(3,5-dimethylphenoxy)ethyl]cyclopentan-1-ol
CID 79587895
1-(aminomethyl)-2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]cyclopentan-1-ol
CID 79587264
1-(aminomethyl)-2-[2-(2,4-dimethylphenoxy)ethyl]cyclopentan-1-ol
CID 79586548
1-(aminomethyl)-2-[2-(3,3-dimethylbutoxy)ethyl]cyclopentan-1-ol
CID 79586556
2-[2-(4-tert-butylphenoxy)ethyl]cyclopentan-1-ol
CID 79564198
1-(aminomethyl)-2-[2-[2-(2-methylpropoxy)ethoxy]ethyl]cyclopentan-1-ol
CID 106450791
3-(4-tert-butylphenoxy)-1-cyclohexylpropan-1-one
CID 39390816
1-(aminomethyl)-2-[2-(3-methylcyclohexyl)oxyethyl]cyclopentan-1-ol
CID 79588135
1-amino-2-[2-[4-(hydroxymethyl)phenoxy]ethyl]cyclopentane-1-carboxylic acid
CID 79570899
1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidine-2-carboxylic acid
CID 43442010
1-amino-2-(2-phenoxyethyl)cyclopentane-1-carboxamide
CID 79586633

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-2-[2-(4-tert-butylphenoxy)ethyl]cyclopentan-1-ol?
The IUPAC name of 1-(aminomethyl)-2-[2-(4-tert-butylphenoxy)ethyl]cyclopentan-1-ol (CID 79587994) is 1-(aminomethyl)-2-[2-(4-tert-butylphenoxy)ethyl]cyclopentan-1-ol.
What is the SMILES notation for 1-(aminomethyl)-2-[2-(4-tert-butylphenoxy)ethyl]cyclopentan-1-ol?
The canonical SMILES for 1-(aminomethyl)-2-[2-(4-tert-butylphenoxy)ethyl]cyclopentan-1-ol is CC(C)(C)c1ccc(OCCC2CCCC2(O)CN)cc1.
What is the InChIKey of 1-(aminomethyl)-2-[2-(4-tert-butylphenoxy)ethyl]cyclopentan-1-ol?
The InChIKey is FHVLYDJQMQBVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-17(2,3)14-6-8-16(9-7-14)21-12-10-15-5-4-11-18(15,20)13-19/h6-9,15,20H,4-5,10-13,19H2,1-3H3.
What are the key properties of 1-(aminomethyl)-2-[2-(4-tert-butylphenoxy)ethyl]cyclopentan-1-ol?
1-(aminomethyl)-2-[2-(4-tert-butylphenoxy)ethyl]cyclopentan-1-ol has a molecular weight of 291.44 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-2-[2-(4-tert-butylphenoxy)ethyl]cyclopentan-1-ol is sourced from PubChem (CID 79587994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).