N-[2-[1-(4-propoxyphenoxy)cyclobutyl]ethyl]propan-2-amine

C18H29NO2 — CID 103273827

IUPACN-[2-[1-(4-propoxyphenoxy)cyclobutyl]ethyl]propan-2-amine
SMILESCCCOc1ccc(OC2(CCNC(C)C)CCC2)cc1
InChIInChI=1S/C18H29NO2/c1-4-14-20-16-6-8-17(9-7-16)21-18(10-5-11-18)12-13-19-15(2)3/h6-9,15,19H,4-5,10-14H2,1-3H3
InChIKeyYJDRULRMNOTZRN-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.16
Rot. Bonds9

About N-[2-[1-(4-propoxyphenoxy)cyclobutyl]ethyl]propan-2-amine

N-[2-[1-(4-propoxyphenoxy)cyclobutyl]ethyl]propan-2-amine (PubChem CID 103273827) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[2-[1-(4-propoxyphenoxy)cyclobutyl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[1-(4-propoxyphenoxy)cyclobutyl]ethyl]propan-2-amine
PubChem CID103273827
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-[2-[1-(4-propoxyphenoxy)cyclobutyl]ethyl]propan-2-amine
SMILESCCCOc1ccc(OC2(CCNC(C)C)CCC2)cc1
InChIInChI=1S/C18H29NO2/c1-4-14-20-16-6-8-17(9-7-16)21-18(10-5-11-18)12-13-19-15(2)3/h6-9,15,19H,4-5,10-14H2,1-3H3
InChIKeyYJDRULRMNOTZRN-UHFFFAOYSA-N
XLogP4.16
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[1-(4-propoxyphenoxy)cyclobutyl]ethyl]propan-1-amine
CID 103273824
N-[2-[1-(4-methylsulfanylphenoxy)cyclobutyl]ethyl]propan-2-amine
CID 103274070
N-[2-[1-(2-methylsulfanylphenoxy)cyclobutyl]ethyl]propan-2-amine
CID 103274063
N-[[1-(2-phenoxyethyl)cyclopropyl]methyl]propan-2-amine
CID 66025781
N-methyl-2-[1-(4-methylsulfanylphenoxy)cyclobutyl]ethanamine
CID 103274071
N-[2-[1-(4-fluoro-2-methylphenoxy)cyclobutyl]ethyl]propan-2-amine
CID 103274345
N-[2-[1-(4-propylphenoxy)cyclobutyl]ethyl]cyclopropanamine
CID 103274011
N-[2-[1-(2-thiophen-2-ylethoxy)cyclobutyl]ethyl]propan-2-amine
CID 103273984
N-[2-[1-(4-ethylphenoxy)cyclobutyl]ethyl]-2-methylpropan-2-amine
CID 103273548
N-[(1-methylsulfanylcyclobutyl)methyl]-1-(4-propoxyphenyl)ethanamine
CID 107269688
N-(4-butoxyphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 54809763
N-[[1-[2-(4-bromophenoxy)ethyl]cyclopropyl]methyl]propan-2-amine
CID 66026893

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(4-propoxyphenoxy)cyclobutyl]ethyl]propan-2-amine?
The IUPAC name of N-[2-[1-(4-propoxyphenoxy)cyclobutyl]ethyl]propan-2-amine (CID 103273827) is N-[2-[1-(4-propoxyphenoxy)cyclobutyl]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[1-(4-propoxyphenoxy)cyclobutyl]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[1-(4-propoxyphenoxy)cyclobutyl]ethyl]propan-2-amine is CCCOc1ccc(OC2(CCNC(C)C)CCC2)cc1.
What is the InChIKey of N-[2-[1-(4-propoxyphenoxy)cyclobutyl]ethyl]propan-2-amine?
The InChIKey is YJDRULRMNOTZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-4-14-20-16-6-8-17(9-7-16)21-18(10-5-11-18)12-13-19-15(2)3/h6-9,15,19H,4-5,10-14H2,1-3H3.
What are the key properties of N-[2-[1-(4-propoxyphenoxy)cyclobutyl]ethyl]propan-2-amine?
N-[2-[1-(4-propoxyphenoxy)cyclobutyl]ethyl]propan-2-amine has a molecular weight of 291.44 g/mol, XLogP of 4.16, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(4-propoxyphenoxy)cyclobutyl]ethyl]propan-2-amine is sourced from PubChem (CID 103273827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).