N-ethyl-2,2-dimethyl-5-(3-propan-2-ylphenoxy)cyclopentan-1-amine

C18H29NO — CID 79860772

IUPACN-ethyl-2,2-dimethyl-5-(3-propan-2-ylphenoxy)cyclopentan-1-amine
SMILESCCNC1C(Oc2cccc(C(C)C)c2)CCC1(C)C
InChIInChI=1S/C18H29NO/c1-6-19-17-16(10-11-18(17,4)5)20-15-9-7-8-14(12-15)13(2)3/h7-9,12-13,16-17,19H,6,10-11H2,1-5H3
InChIKeyGOLQONHHSDMNMF-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.36
Rot. Bonds5

About N-ethyl-2,2-dimethyl-5-(3-propan-2-ylphenoxy)cyclopentan-1-amine

N-ethyl-2,2-dimethyl-5-(3-propan-2-ylphenoxy)cyclopentan-1-amine (PubChem CID 79860772) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-ethyl-2,2-dimethyl-5-(3-propan-2-ylphenoxy)cyclopentan-1-amine.

Molecular Properties

Compound NameN-ethyl-2,2-dimethyl-5-(3-propan-2-ylphenoxy)cyclopentan-1-amine
PubChem CID79860772
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-ethyl-2,2-dimethyl-5-(3-propan-2-ylphenoxy)cyclopentan-1-amine
SMILESCCNC1C(Oc2cccc(C(C)C)c2)CCC1(C)C
InChIInChI=1S/C18H29NO/c1-6-19-17-16(10-11-18(17,4)5)20-15-9-7-8-14(12-15)13(2)3/h7-9,12-13,16-17,19H,6,10-11H2,1-5H3
InChIKeyGOLQONHHSDMNMF-UHFFFAOYSA-N
XLogP4.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-6-(3-fluorophenoxy)-2,2-dimethylcyclohexan-1-amine
CID 79837063
5-(3,5-dimethoxyphenoxy)-N-ethyl-2,2-dimethylcyclopentan-1-amine
CID 79865785
N-ethyl-2,2-dimethyl-5-(4-propylphenoxy)cyclopentan-1-amine
CID 79856403
5-(2-butan-2-ylphenoxy)-N-ethyl-2,2-dimethylcyclopentan-1-amine
CID 79865771
N-ethyl-3-(3-propan-2-ylphenoxy)-2-propoxycyclobutan-1-amine
CID 107943185
N-ethyl-5-[4-(2-methoxyethyl)phenoxy]-2,2-dimethylcyclopentan-1-amine
CID 79865783
5-(3-fluorophenoxy)-N,2,2-trimethylcyclopentan-1-amine
CID 79859640
2-ethoxy-3-(3-propan-2-ylphenoxy)cyclobutan-1-amine
CID 104675953
[1-(ethylamino)-3-(3-propan-2-ylphenoxy)cyclopentyl]methanol
CID 79645784
2-ethoxy-3-(3-propan-2-ylphenoxy)cyclobutan-1-ol
CID 104675275
1-cyclopentyloxy-3-propan-2-ylbenzene
CID 140909564
N-[(3-cyclopropyloxyphenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine
CID 107191369

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-dimethyl-5-(3-propan-2-ylphenoxy)cyclopentan-1-amine?
The IUPAC name of N-ethyl-2,2-dimethyl-5-(3-propan-2-ylphenoxy)cyclopentan-1-amine (CID 79860772) is N-ethyl-2,2-dimethyl-5-(3-propan-2-ylphenoxy)cyclopentan-1-amine.
What is the SMILES notation for N-ethyl-2,2-dimethyl-5-(3-propan-2-ylphenoxy)cyclopentan-1-amine?
The canonical SMILES for N-ethyl-2,2-dimethyl-5-(3-propan-2-ylphenoxy)cyclopentan-1-amine is CCNC1C(Oc2cccc(C(C)C)c2)CCC1(C)C.
What is the InChIKey of N-ethyl-2,2-dimethyl-5-(3-propan-2-ylphenoxy)cyclopentan-1-amine?
The InChIKey is GOLQONHHSDMNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-6-19-17-16(10-11-18(17,4)5)20-15-9-7-8-14(12-15)13(2)3/h7-9,12-13,16-17,19H,6,10-11H2,1-5H3.
What are the key properties of N-ethyl-2,2-dimethyl-5-(3-propan-2-ylphenoxy)cyclopentan-1-amine?
N-ethyl-2,2-dimethyl-5-(3-propan-2-ylphenoxy)cyclopentan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-dimethyl-5-(3-propan-2-ylphenoxy)cyclopentan-1-amine is sourced from PubChem (CID 79860772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).