1-cyclobutyl-3-(4-methoxyphenyl)-N-propylpropan-1-amine

C17H27NO — CID 65446483

IUPAC1-cyclobutyl-3-(4-methoxyphenyl)-N-propylpropan-1-amine
SMILESCCCNC(CCc1ccc(OC)cc1)C1CCC1
InChIInChI=1S/C17H27NO/c1-3-13-18-17(15-5-4-6-15)12-9-14-7-10-16(19-2)11-8-14/h7-8,10-11,15,17-18H,3-6,9,12-13H2,1-2H3
InChIKeyIYOKXZABJVPLOM-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.80
Rot. Bonds8

About 1-cyclobutyl-3-(4-methoxyphenyl)-N-propylpropan-1-amine

1-cyclobutyl-3-(4-methoxyphenyl)-N-propylpropan-1-amine (PubChem CID 65446483) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-cyclobutyl-3-(4-methoxyphenyl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-cyclobutyl-3-(4-methoxyphenyl)-N-propylpropan-1-amine
PubChem CID65446483
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-cyclobutyl-3-(4-methoxyphenyl)-N-propylpropan-1-amine
SMILESCCCNC(CCc1ccc(OC)cc1)C1CCC1
InChIInChI=1S/C17H27NO/c1-3-13-18-17(15-5-4-6-15)12-9-14-7-10-16(19-2)11-8-14/h7-8,10-11,15,17-18H,3-6,9,12-13H2,1-2H3
InChIKeyIYOKXZABJVPLOM-UHFFFAOYSA-N
XLogP3.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-(4-methoxyphenyl)-1-(4-methylcyclohexyl)propan-1-amine
CID 65445898
1-cyclohexyl-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 65445325
1-cyclobutyl-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 64986471
1-cyclobutyl-3-(4-methoxyphenyl)propan-1-amine
CID 65446100
3-(4-methoxyphenyl)-1-(1-methylcyclopentyl)-N-propylpropan-1-amine
CID 115864749
N-[1-cyclopentyl-2-(4-ethylphenoxy)ethyl]propan-1-amine
CID 104748438
4-methoxy-1-(4-methoxyphenyl)-N-propylpentan-3-amine
CID 79615993
1-cyclooctyl-3-(4-methoxyphenyl)propan-1-ol
CID 80603730
N-[2-(4-methoxyphenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine
CID 61065705
4-(4-methoxyphenyl)-1-(2-methylpropylsulfanyl)-N-propylbutan-2-amine
CID 65446675
1-(4-methoxyphenyl)-5-methyl-N-propyloctan-3-amine
CID 115845424
6,6,6-trifluoro-1-(4-methoxyphenyl)-N-propylhexan-3-amine
CID 79959286

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-(4-methoxyphenyl)-N-propylpropan-1-amine?
The IUPAC name of 1-cyclobutyl-3-(4-methoxyphenyl)-N-propylpropan-1-amine (CID 65446483) is 1-cyclobutyl-3-(4-methoxyphenyl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-cyclobutyl-3-(4-methoxyphenyl)-N-propylpropan-1-amine?
The canonical SMILES for 1-cyclobutyl-3-(4-methoxyphenyl)-N-propylpropan-1-amine is CCCNC(CCc1ccc(OC)cc1)C1CCC1.
What is the InChIKey of 1-cyclobutyl-3-(4-methoxyphenyl)-N-propylpropan-1-amine?
The InChIKey is IYOKXZABJVPLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-13-18-17(15-5-4-6-15)12-9-14-7-10-16(19-2)11-8-14/h7-8,10-11,15,17-18H,3-6,9,12-13H2,1-2H3.
What are the key properties of 1-cyclobutyl-3-(4-methoxyphenyl)-N-propylpropan-1-amine?
1-cyclobutyl-3-(4-methoxyphenyl)-N-propylpropan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-(4-methoxyphenyl)-N-propylpropan-1-amine is sourced from PubChem (CID 65446483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).