N-[1-[2-(2-cyclobutylethoxy)-6-methoxyphenyl]ethyl]propan-1-amine

C18H29NO2 — CID 106202382

IUPACN-[1-[2-(2-cyclobutylethoxy)-6-methoxyphenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1c(OC)cccc1OCCC1CCC1
InChIInChI=1S/C18H29NO2/c1-4-12-19-14(2)18-16(20-3)9-6-10-17(18)21-13-11-15-7-5-8-15/h6,9-10,14-15,19H,4-5,7-8,11-13H2,1-3H3
InChIKeyLOUBEQSBDHODAQ-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.32
Rot. Bonds9

About N-[1-[2-(2-cyclobutylethoxy)-6-methoxyphenyl]ethyl]propan-1-amine

N-[1-[2-(2-cyclobutylethoxy)-6-methoxyphenyl]ethyl]propan-1-amine (PubChem CID 106202382) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[1-[2-(2-cyclobutylethoxy)-6-methoxyphenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-(2-cyclobutylethoxy)-6-methoxyphenyl]ethyl]propan-1-amine
PubChem CID106202382
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-[1-[2-(2-cyclobutylethoxy)-6-methoxyphenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1c(OC)cccc1OCCC1CCC1
InChIInChI=1S/C18H29NO2/c1-4-12-19-14(2)18-16(20-3)9-6-10-17(18)21-13-11-15-7-5-8-15/h6,9-10,14-15,19H,4-5,7-8,11-13H2,1-3H3
InChIKeyLOUBEQSBDHODAQ-UHFFFAOYSA-N
XLogP4.32
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 ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclobutylethyl)-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 115893437
(1R)-1-[2-(2-cyclopropylethoxy)-6-methoxyphenyl]ethanamine
CID 114157550
2-(2-cyclobutylethoxy)-6-propoxyaniline
CID 106199742
N-[1-(2-fluoro-6-propoxyphenyl)ethyl]propan-1-amine
CID 43286026
3-cyclopentyl-1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 115792780
N-(2-cyclohexylethyl)-1-(2-methoxyphenyl)ethanamine
CID 54931731
N-[2-[3-methoxy-2-[1-(methylamino)ethyl]phenoxy]ethyl]-N-methylcyclopropanamine
CID 102740278
N-[1-[2-fluoro-6-(4,4,4-trifluorobutoxy)phenyl]ethyl]propan-1-amine
CID 82782468
1-[2-methoxy-6-(3-methoxypropoxy)phenyl]-N-methylethanamine
CID 113389088
3-[3-fluoro-2-[1-(propylamino)ethyl]phenoxy]propan-1-ol
CID 43285956
1-(2-cyclopentyloxy-6-methoxyphenyl)-N-methylethanamine
CID 113389061
N-[6-bicyclo[3.1.0]hexanyl-(2-methoxyphenyl)methyl]propan-1-amine
CID 115792664

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-cyclobutylethoxy)-6-methoxyphenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-(2-cyclobutylethoxy)-6-methoxyphenyl]ethyl]propan-1-amine (CID 106202382) is N-[1-[2-(2-cyclobutylethoxy)-6-methoxyphenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-(2-cyclobutylethoxy)-6-methoxyphenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-(2-cyclobutylethoxy)-6-methoxyphenyl]ethyl]propan-1-amine is CCCNC(C)c1c(OC)cccc1OCCC1CCC1.
What is the InChIKey of N-[1-[2-(2-cyclobutylethoxy)-6-methoxyphenyl]ethyl]propan-1-amine?
The InChIKey is LOUBEQSBDHODAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-4-12-19-14(2)18-16(20-3)9-6-10-17(18)21-13-11-15-7-5-8-15/h6,9-10,14-15,19H,4-5,7-8,11-13H2,1-3H3.
What are the key properties of N-[1-[2-(2-cyclobutylethoxy)-6-methoxyphenyl]ethyl]propan-1-amine?
N-[1-[2-(2-cyclobutylethoxy)-6-methoxyphenyl]ethyl]propan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 4.32, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-cyclobutylethoxy)-6-methoxyphenyl]ethyl]propan-1-amine is sourced from PubChem (CID 106202382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).