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

C18H29NO2 — CID 65167488

IUPAC1-(4-methoxyphenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCCC1CCCO1)c1ccc(OC)cc1
InChIInChI=1S/C18H29NO2/c1-3-13-19-18(8-4-6-17-7-5-14-21-17)15-9-11-16(20-2)12-10-15/h9-12,17-19H,3-8,13-14H2,1-2H3
InChIKeyNPOLPTUZMSECAT-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.09
Rot. Bonds9

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

1-(4-methoxyphenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine (PubChem CID 65167488) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
PubChem CID65167488
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name1-(4-methoxyphenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCCC1CCCO1)c1ccc(OC)cc1
InChIInChI=1S/C18H29NO2/c1-3-13-19-18(8-4-6-17-7-5-14-21-17)15-9-11-16(20-2)12-10-15/h9-12,17-19H,3-8,13-14H2,1-2H3
InChIKeyNPOLPTUZMSECAT-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

Analyze 1-(4-methoxyphenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-methoxyphenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 65167019
1-(4-methoxyphenyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine
CID 65167486
1-(3-methoxyphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 65167020
3-(oxolan-2-yl)-N-propyl-1-(4-propylphenyl)propan-1-amine
CID 65156384
1-(2-fluoro-4-methoxyphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 65156287
N-ethyl-1-(4-fluorophenyl)-4-(oxolan-2-yl)butan-1-amine
CID 65167283
1-(3,4-dimethylphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 65156280
1-(3-bromo-4-methoxyphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 65156181
1-(2,5-dichlorophenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 104993435
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(oxolan-2-yl)ethanamine
CID 61040330
1-(3-bromo-4-methylphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 104993778
1-(4-methoxyphenyl)-5-methyl-N-propylhexan-1-amine
CID 83161012

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine?
The IUPAC name of 1-(4-methoxyphenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine (CID 65167488) is 1-(4-methoxyphenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine is CCCNC(CCCC1CCCO1)c1ccc(OC)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine?
The InChIKey is NPOLPTUZMSECAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-3-13-19-18(8-4-6-17-7-5-14-21-17)15-9-11-16(20-2)12-10-15/h9-12,17-19H,3-8,13-14H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine?
1-(4-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-(4-methoxyphenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine is sourced from PubChem (CID 65167488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).