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

C18H29NO2 — CID 79587114

IUPAC1-(aminomethyl)-2-[2-(2-tert-butylphenoxy)ethyl]cyclopentan-1-ol
SMILESCC(C)(C)c1ccccc1OCCC1CCCC1(O)CN
InChIInChI=1S/C18H29NO2/c1-17(2,3)15-8-4-5-9-16(15)21-12-10-14-7-6-11-18(14,20)13-19/h4-5,8-9,14,20H,6-7,10-13,19H2,1-3H3
InChIKeyJDULNMCKEZAATK-UHFFFAOYSA-N
MW291.43 g/mol
LogP3.24
Rot. Bonds5

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

1-(aminomethyl)-2-[2-(2-tert-butylphenoxy)ethyl]cyclopentan-1-ol (PubChem CID 79587114) has the molecular formula C18H29NO2 and a molecular weight of 291.43 g/mol. Its IUPAC name is 1-(aminomethyl)-2-[2-(2-tert-butylphenoxy)ethyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-(aminomethyl)-2-[2-(2-tert-butylphenoxy)ethyl]cyclopentan-1-ol
PubChem CID79587114
Molecular FormulaC18H29NO2
Molecular Weight291.43 g/mol
Exact Mass291.22
IUPAC Name1-(aminomethyl)-2-[2-(2-tert-butylphenoxy)ethyl]cyclopentan-1-ol
SMILESCC(C)(C)c1ccccc1OCCC1CCCC1(O)CN
InChIInChI=1S/C18H29NO2/c1-17(2,3)15-8-4-5-9-16(15)21-12-10-14-7-6-11-18(14,20)13-19/h4-5,8-9,14,20H,6-7,10-13,19H2,1-3H3
InChIKeyJDULNMCKEZAATK-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 ≤ 500291.43
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(2-Propan-2-ylphenoxy)pentylamino]ethanol
CID 2249073
[(1S,2S)-2-[2-(2-methylpropoxy)phenyl]cyclopropyl]methanamine;hydrochloride
CID 70681341
[(1S,2S)-2-(2-ethoxyphenyl)cyclopropyl]methanamine;hydrochloride
CID 70683432
[(1S,2S)-2-(2-propoxyphenyl)cyclopropyl]methanamine;hydrochloride
CID 70687694
2-[5-(2-Tert-butylphenoxy)pentylamino]ethanol
CID 2251058
4-(4-(tert-Butyl)-2-cyclopentylphenoxy)butylamine
CID 104315
US10188615, Example 56
CID 58027663
2-(2-Tert-Butylphenoxy)Ethanamine
CID 7139303
2-(2-Tert-butylphenoxy)ethan-1-amine hydrochloride
CID 50988059
[(1S,2S)-2-(2-pentoxyphenyl)cyclopropyl]methanamine;hydrochloride
CID 70681343
2-(2-Isopropylphenoxy)ethanamine
CID 1722558
(1-(2-Methoxyphenyl)cyclopentyl)methanamine
CID 16641707

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-2-[2-(2-tert-butylphenoxy)ethyl]cyclopentan-1-ol?
The IUPAC name of 1-(aminomethyl)-2-[2-(2-tert-butylphenoxy)ethyl]cyclopentan-1-ol (CID 79587114) is 1-(aminomethyl)-2-[2-(2-tert-butylphenoxy)ethyl]cyclopentan-1-ol.
What is the SMILES notation for 1-(aminomethyl)-2-[2-(2-tert-butylphenoxy)ethyl]cyclopentan-1-ol?
The canonical SMILES for 1-(aminomethyl)-2-[2-(2-tert-butylphenoxy)ethyl]cyclopentan-1-ol is CC(C)(C)c1ccccc1OCCC1CCCC1(O)CN.
What is the InChIKey of 1-(aminomethyl)-2-[2-(2-tert-butylphenoxy)ethyl]cyclopentan-1-ol?
The InChIKey is JDULNMCKEZAATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-17(2,3)15-8-4-5-9-16(15)21-12-10-14-7-6-11-18(14,20)13-19/h4-5,8-9,14,20H,6-7,10-13,19H2,1-3H3.
What are the key properties of 1-(aminomethyl)-2-[2-(2-tert-butylphenoxy)ethyl]cyclopentan-1-ol?
1-(aminomethyl)-2-[2-(2-tert-butylphenoxy)ethyl]cyclopentan-1-ol has a molecular weight of 291.43 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-(2-tert-butylphenoxy)ethyl]cyclopentan-1-ol is sourced from PubChem (CID 79587114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).