1-(3-methoxyphenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine

C18H29NO2 — CID 65167019

IUPAC1-(3-methoxyphenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCCC1CCCO1)c1cccc(OC)c1
InChIInChI=1S/C18H29NO2/c1-3-12-19-18(11-5-8-16-10-6-13-21-16)15-7-4-9-17(14-15)20-2/h4,7,9,14,16,18-19H,3,5-6,8,10-13H2,1-2H3
InChIKeyFEJGBRZKQVSWJQ-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.09
Rot. Bonds9

About 1-(3-methoxyphenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine

1-(3-methoxyphenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine (PubChem CID 65167019) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
PubChem CID65167019
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name1-(3-methoxyphenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCCC1CCCO1)c1cccc(OC)c1
InChIInChI=1S/C18H29NO2/c1-3-12-19-18(11-5-8-16-10-6-13-21-16)15-7-4-9-17(14-15)20-2/h4,7,9,14,16,18-19H,3,5-6,8,10-13H2,1-2H3
InChIKeyFEJGBRZKQVSWJQ-UHFFFAOYSA-N
XLogP4.09
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 ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxyphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 65167020
1-(4-methoxyphenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 65167488
N-ethyl-1-(3-methoxyphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 65166969
1-(3-ethylphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 105018462
1-(2-fluoro-4-methoxyphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 65156287
1-(3,4-dimethylphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 65156280
1-(3-chlorophenyl)-3-(oxan-2-yl)-N-propylpropan-1-amine
CID 115812068
1-(3-methoxyphenyl)-N-propylbutan-1-amine
CID 60797906
1-(3-bromo-4-methoxyphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 65156181
1-(3-methoxyphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 65378177
N-ethyl-3-(oxolan-2-yl)-1-(3-propan-2-yloxyphenyl)propan-1-amine
CID 104993653
1-(2,5-dichlorophenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 104993435

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine?
The IUPAC name of 1-(3-methoxyphenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine (CID 65167019) is 1-(3-methoxyphenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 1-(3-methoxyphenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine?
The canonical SMILES for 1-(3-methoxyphenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine is CCCNC(CCCC1CCCO1)c1cccc(OC)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine?
The InChIKey is FEJGBRZKQVSWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-3-12-19-18(11-5-8-16-10-6-13-21-16)15-7-4-9-17(14-15)20-2/h4,7,9,14,16,18-19H,3,5-6,8,10-13H2,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine?
1-(3-methoxyphenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 4.09, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine is sourced from PubChem (CID 65167019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).