1-cyclobutyl-3-(3,4-dimethoxyphenyl)-N-propylpropan-2-amine

C18H29NO2 — CID 65458593

IUPAC1-cyclobutyl-3-(3,4-dimethoxyphenyl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1ccc(OC)c(OC)c1)CC1CCC1
InChIInChI=1S/C18H29NO2/c1-4-10-19-16(11-14-6-5-7-14)12-15-8-9-17(20-2)18(13-15)21-3/h8-9,13-14,16,19H,4-7,10-12H2,1-3H3
InChIKeyQKQAQEALUCYNAV-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.80
Rot. Bonds9

About 1-cyclobutyl-3-(3,4-dimethoxyphenyl)-N-propylpropan-2-amine

1-cyclobutyl-3-(3,4-dimethoxyphenyl)-N-propylpropan-2-amine (PubChem CID 65458593) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-cyclobutyl-3-(3,4-dimethoxyphenyl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-cyclobutyl-3-(3,4-dimethoxyphenyl)-N-propylpropan-2-amine
PubChem CID65458593
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name1-cyclobutyl-3-(3,4-dimethoxyphenyl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1ccc(OC)c(OC)c1)CC1CCC1
InChIInChI=1S/C18H29NO2/c1-4-10-19-16(11-14-6-5-7-14)12-15-8-9-17(20-2)18(13-15)21-3/h8-9,13-14,16,19H,4-7,10-12H2,1-3H3
InChIKeyQKQAQEALUCYNAV-UHFFFAOYSA-N
XLogP3.80
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 ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclobutyl-3-(2-methoxy-5-methylphenyl)-N-propylpropan-2-amine
CID 103168378
1-(3,4-dimethoxyphenyl)-4-methyl-N-propylpentan-2-amine
CID 60865170
1-(3-bromo-4-methoxyphenyl)-3-cyclopentyl-N-ethylpropan-2-amine
CID 115817876
1-cyclobutyl-N-[2-(3,4-dimethoxyphenyl)ethyl]propan-2-amine
CID 115704098
methyl 4-(3,4-dimethoxyphenyl)-3-(propylamino)butanoate
CID 82351427
1-(3,4-dimethoxyphenyl)-N-propylpropan-2-amine
CID 43200450
1-cycloheptyl-3-(3-methylphenyl)-N-propylpropan-2-amine
CID 114458153
1-(3-methoxyphenyl)-N-propyl-3-(thian-4-yl)propan-2-amine
CID 105133671
[1-cycloheptyl-3-(3-fluoro-4-methoxyphenyl)propan-2-yl]hydrazine
CID 105292967
1-(3,4-difluorophenyl)-3-(oxan-4-yl)-N-propylpropan-2-amine
CID 115846981
N-[2-(3-bromo-4-methoxyphenyl)-1-cyclopentylethyl]propan-1-amine
CID 63417125
[1-cyclobutyl-3-(3,4-dimethylphenyl)propan-2-yl]hydrazine
CID 105215170

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-(3,4-dimethoxyphenyl)-N-propylpropan-2-amine?
The IUPAC name of 1-cyclobutyl-3-(3,4-dimethoxyphenyl)-N-propylpropan-2-amine (CID 65458593) is 1-cyclobutyl-3-(3,4-dimethoxyphenyl)-N-propylpropan-2-amine.
What is the SMILES notation for 1-cyclobutyl-3-(3,4-dimethoxyphenyl)-N-propylpropan-2-amine?
The canonical SMILES for 1-cyclobutyl-3-(3,4-dimethoxyphenyl)-N-propylpropan-2-amine is CCCNC(Cc1ccc(OC)c(OC)c1)CC1CCC1.
What is the InChIKey of 1-cyclobutyl-3-(3,4-dimethoxyphenyl)-N-propylpropan-2-amine?
The InChIKey is QKQAQEALUCYNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-4-10-19-16(11-14-6-5-7-14)12-15-8-9-17(20-2)18(13-15)21-3/h8-9,13-14,16,19H,4-7,10-12H2,1-3H3.
What are the key properties of 1-cyclobutyl-3-(3,4-dimethoxyphenyl)-N-propylpropan-2-amine?
1-cyclobutyl-3-(3,4-dimethoxyphenyl)-N-propylpropan-2-amine has a molecular weight of 291.44 g/mol, XLogP of 3.80, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-(3,4-dimethoxyphenyl)-N-propylpropan-2-amine is sourced from PubChem (CID 65458593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).