1-cyclopropyl-4-(2,3-dihydro-1-benzofuran-5-yl)-1-methoxy-N-methylbutan-2-amine

C17H25NO2 — CID 116722245

IUPAC1-cyclopropyl-4-(2,3-dihydro-1-benzofuran-5-yl)-1-methoxy-N-methylbutan-2-amine
SMILESCNC(CCc1ccc2c(c1)CCO2)C(OC)C1CC1
InChIInChI=1S/C17H25NO2/c1-18-15(17(19-2)13-5-6-13)7-3-12-4-8-16-14(11-12)9-10-20-16/h4,8,11,13,15,17-18H,3,5-7,9-10H2,1-2H3
InChIKeyOMAGVKRBCJJCMJ-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.57
Rot. Bonds7

About 1-cyclopropyl-4-(2,3-dihydro-1-benzofuran-5-yl)-1-methoxy-N-methylbutan-2-amine

1-cyclopropyl-4-(2,3-dihydro-1-benzofuran-5-yl)-1-methoxy-N-methylbutan-2-amine (PubChem CID 116722245) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-cyclopropyl-4-(2,3-dihydro-1-benzofuran-5-yl)-1-methoxy-N-methylbutan-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-4-(2,3-dihydro-1-benzofuran-5-yl)-1-methoxy-N-methylbutan-2-amine
PubChem CID116722245
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-cyclopropyl-4-(2,3-dihydro-1-benzofuran-5-yl)-1-methoxy-N-methylbutan-2-amine
SMILESCNC(CCc1ccc2c(c1)CCO2)C(OC)C1CC1
InChIInChI=1S/C17H25NO2/c1-18-15(17(19-2)13-5-6-13)7-3-12-4-8-16-14(11-12)9-10-20-16/h4,8,11,13,15,17-18H,3,5-7,9-10H2,1-2H3
InChIKeyOMAGVKRBCJJCMJ-UHFFFAOYSA-N
XLogP2.57
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cyclopropyl-4-(2,3-dihydro-1-benzofuran-5-yl)-1-methoxy-N-methylbutan-2-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-(2,3-dihydro-1-benzofuran-5-yl)-N,4,5-trimethylhexan-3-amine
CID 115864502
1-(2,3-dihydro-1-benzofuran-5-yl)-5-methoxy-N-methylpentan-3-amine
CID 65445330
3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(thiolan-3-yl)propan-1-amine
CID 105152122
7-(2,3-dihydro-1-benzofuran-5-yl)-N,2-dimethylheptan-3-amine
CID 65442850
[1-cyclopropyl-3-(2,3-dihydro-1-benzofuran-5-yl)propyl]hydrazine
CID 105202382
1-(2,3-dihydro-1-benzofuran-5-yl)-4-ethyl-4-methoxy-N-methylhexan-3-amine
CID 116760880
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methylcyclohexyl)propan-1-amine
CID 65445707
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine
CID 65447213
1-(2,3-dihydro-1-benzofuran-5-yl)-N,5,5-trimethylhexan-3-amine
CID 65445712
3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(thian-2-yl)propan-1-amine
CID 80627138
1-cyclopropyl-3-(2,3-dihydro-1H-inden-5-yl)-1-methoxy-N-methylpropan-2-amine
CID 116722108
[4-(2,3-dihydro-1-benzofuran-5-yl)-1,1-difluorobutan-2-yl]hydrazine
CID 105265014

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-(2,3-dihydro-1-benzofuran-5-yl)-1-methoxy-N-methylbutan-2-amine?
The IUPAC name of 1-cyclopropyl-4-(2,3-dihydro-1-benzofuran-5-yl)-1-methoxy-N-methylbutan-2-amine (CID 116722245) is 1-cyclopropyl-4-(2,3-dihydro-1-benzofuran-5-yl)-1-methoxy-N-methylbutan-2-amine.
What is the SMILES notation for 1-cyclopropyl-4-(2,3-dihydro-1-benzofuran-5-yl)-1-methoxy-N-methylbutan-2-amine?
The canonical SMILES for 1-cyclopropyl-4-(2,3-dihydro-1-benzofuran-5-yl)-1-methoxy-N-methylbutan-2-amine is CNC(CCc1ccc2c(c1)CCO2)C(OC)C1CC1.
What is the InChIKey of 1-cyclopropyl-4-(2,3-dihydro-1-benzofuran-5-yl)-1-methoxy-N-methylbutan-2-amine?
The InChIKey is OMAGVKRBCJJCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-18-15(17(19-2)13-5-6-13)7-3-12-4-8-16-14(11-12)9-10-20-16/h4,8,11,13,15,17-18H,3,5-7,9-10H2,1-2H3.
What are the key properties of 1-cyclopropyl-4-(2,3-dihydro-1-benzofuran-5-yl)-1-methoxy-N-methylbutan-2-amine?
1-cyclopropyl-4-(2,3-dihydro-1-benzofuran-5-yl)-1-methoxy-N-methylbutan-2-amine has a molecular weight of 275.39 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-(2,3-dihydro-1-benzofuran-5-yl)-1-methoxy-N-methylbutan-2-amine is sourced from PubChem (CID 116722245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).