N-[1-(4-ethoxyphenyl)ethyl]-2,2-dimethylcyclopentan-1-amine

C17H27NO — CID 79860500

IUPACN-[1-(4-ethoxyphenyl)ethyl]-2,2-dimethylcyclopentan-1-amine
SMILESCCOc1ccc(C(C)NC2CCCC2(C)C)cc1
InChIInChI=1S/C17H27NO/c1-5-19-15-10-8-14(9-11-15)13(2)18-16-7-6-12-17(16,3)4/h8-11,13,16,18H,5-7,12H2,1-4H3
InChIKeyHWTBKNRMJBEJNE-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.31
Rot. Bonds5

About N-[1-(4-ethoxyphenyl)ethyl]-2,2-dimethylcyclopentan-1-amine

N-[1-(4-ethoxyphenyl)ethyl]-2,2-dimethylcyclopentan-1-amine (PubChem CID 79860500) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[1-(4-ethoxyphenyl)ethyl]-2,2-dimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[1-(4-ethoxyphenyl)ethyl]-2,2-dimethylcyclopentan-1-amine
PubChem CID79860500
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[1-(4-ethoxyphenyl)ethyl]-2,2-dimethylcyclopentan-1-amine
SMILESCCOc1ccc(C(C)NC2CCCC2(C)C)cc1
InChIInChI=1S/C17H27NO/c1-5-19-15-10-8-14(9-11-15)13(2)18-16-7-6-12-17(16,3)4/h8-11,13,16,18H,5-7,12H2,1-4H3
InChIKeyHWTBKNRMJBEJNE-UHFFFAOYSA-N
XLogP4.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-N-[1-(4-propoxyphenyl)ethyl]cyclopentan-1-amine
CID 79861209
N-[1-(4-methoxyphenyl)ethyl]-2,2-dimethylcyclopentan-1-amine
CID 79857327
2,2-dimethyl-N-[1-(4-propylphenyl)ethyl]cyclohexan-1-amine
CID 79861249
N-[1-(4-ethoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine
CID 80705379
N-[(1S)-1-(4-chlorophenyl)ethyl]-2,2-dimethylcyclohexan-1-amine
CID 81352952
N-[(1R)-1-(4-bromophenyl)ethyl]-2,2-dimethylcyclohexan-1-amine
CID 81354568
1-(2,2-dimethylcyclopentyl)-1-(4-ethoxyphenyl)-N-methylmethanamine
CID 107177179
1-(4-ethoxyphenyl)-N-[(1-methylcyclobutyl)methyl]ethanamine
CID 103903167
N-[1-(4-ethoxyphenyl)ethyl]thian-4-amine
CID 43233377
N-[1-(4-ethoxyphenyl)ethyl]oxepan-4-amine
CID 65081646
N-[1-(4-ethoxyphenyl)ethyl]-2-methoxycyclohexan-1-amine
CID 43788970
1-(4-ethoxyphenyl)-N-[1-(1-methylcyclopropyl)ethyl]ethanamine
CID 43734738

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxyphenyl)ethyl]-2,2-dimethylcyclopentan-1-amine?
The IUPAC name of N-[1-(4-ethoxyphenyl)ethyl]-2,2-dimethylcyclopentan-1-amine (CID 79860500) is N-[1-(4-ethoxyphenyl)ethyl]-2,2-dimethylcyclopentan-1-amine.
What is the SMILES notation for N-[1-(4-ethoxyphenyl)ethyl]-2,2-dimethylcyclopentan-1-amine?
The canonical SMILES for N-[1-(4-ethoxyphenyl)ethyl]-2,2-dimethylcyclopentan-1-amine is CCOc1ccc(C(C)NC2CCCC2(C)C)cc1.
What is the InChIKey of N-[1-(4-ethoxyphenyl)ethyl]-2,2-dimethylcyclopentan-1-amine?
The InChIKey is HWTBKNRMJBEJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-5-19-15-10-8-14(9-11-15)13(2)18-16-7-6-12-17(16,3)4/h8-11,13,16,18H,5-7,12H2,1-4H3.
What are the key properties of N-[1-(4-ethoxyphenyl)ethyl]-2,2-dimethylcyclopentan-1-amine?
N-[1-(4-ethoxyphenyl)ethyl]-2,2-dimethylcyclopentan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethoxyphenyl)ethyl]-2,2-dimethylcyclopentan-1-amine is sourced from PubChem (CID 79860500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).