1-cyclopropyl-3-(2,3-dihydro-1H-inden-5-yl)-1-methoxy-N-methylpropan-2-amine

C17H25NO — CID 116722108

IUPAC1-cyclopropyl-3-(2,3-dihydro-1H-inden-5-yl)-1-methoxy-N-methylpropan-2-amine
SMILESCNC(Cc1ccc2c(c1)CCC2)C(OC)C1CC1
InChIInChI=1S/C17H25NO/c1-18-16(17(19-2)14-8-9-14)11-12-6-7-13-4-3-5-15(13)10-12/h6-7,10,14,16-18H,3-5,8-9,11H2,1-2H3
InChIKeyXUIWGELOQWLAEQ-UHFFFAOYSA-N
MW259.39 g/mol
LogP2.73
Rot. Bonds6

About 1-cyclopropyl-3-(2,3-dihydro-1H-inden-5-yl)-1-methoxy-N-methylpropan-2-amine

1-cyclopropyl-3-(2,3-dihydro-1H-inden-5-yl)-1-methoxy-N-methylpropan-2-amine (PubChem CID 116722108) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2,3-dihydro-1H-inden-5-yl)-1-methoxy-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-3-(2,3-dihydro-1H-inden-5-yl)-1-methoxy-N-methylpropan-2-amine
PubChem CID116722108
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name1-cyclopropyl-3-(2,3-dihydro-1H-inden-5-yl)-1-methoxy-N-methylpropan-2-amine
SMILESCNC(Cc1ccc2c(c1)CCC2)C(OC)C1CC1
InChIInChI=1S/C17H25NO/c1-18-16(17(19-2)14-8-9-14)11-12-6-7-13-4-3-5-15(13)10-12/h6-7,10,14,16-18H,3-5,8-9,11H2,1-2H3
InChIKeyXUIWGELOQWLAEQ-UHFFFAOYSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-3-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-1-methoxypropan-2-amine
CID 116722394
1-cyclohexyl-3-(furan-3-yl)-1-methoxy-N-methylpropan-2-amine
CID 116771472
1-cyclopropyl-4-(2,3-dihydro-1-benzofuran-5-yl)-1-methoxy-N-methylbutan-2-amine
CID 116722245
1-cyclopropyl-3-(2,6-difluorophenyl)-1-methoxy-N-methylpropan-2-amine
CID 114932663
3-(2,3-dihydro-1H-inden-5-yl)-1,1,1-trifluoro-N-methylpropan-2-amine
CID 115865082
1-cyclopropyl-3-(3,4-difluorophenyl)-1-methoxy-N-propylpropan-2-amine
CID 116722711
[3-(4-bromophenyl)-1-cyclopropyl-1-methoxypropan-2-yl]hydrazine
CID 105272881
1-cyclohexyl-3-(2,6-difluorophenyl)-1-methoxy-N-methylpropan-2-amine
CID 114932745
[1-(2,3-dihydro-1H-inden-5-yl)-3,4-dimethylpentan-2-yl]hydrazine
CID 105310742
2-cyclopropyl-2-methoxy-N-methyl-1-[3-(2-methylpropyl)phenyl]ethanamine
CID 116722194
1-cyclopropyl-1-methoxy-N-methyl-5-phenylpentan-2-amine
CID 116722293
6-(2-chloropropyl)-1,2,3,4-tetrahydronaphthalene
CID 82255501

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(2,3-dihydro-1H-inden-5-yl)-1-methoxy-N-methylpropan-2-amine?
The IUPAC name of 1-cyclopropyl-3-(2,3-dihydro-1H-inden-5-yl)-1-methoxy-N-methylpropan-2-amine (CID 116722108) is 1-cyclopropyl-3-(2,3-dihydro-1H-inden-5-yl)-1-methoxy-N-methylpropan-2-amine.
What is the SMILES notation for 1-cyclopropyl-3-(2,3-dihydro-1H-inden-5-yl)-1-methoxy-N-methylpropan-2-amine?
The canonical SMILES for 1-cyclopropyl-3-(2,3-dihydro-1H-inden-5-yl)-1-methoxy-N-methylpropan-2-amine is CNC(Cc1ccc2c(c1)CCC2)C(OC)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(2,3-dihydro-1H-inden-5-yl)-1-methoxy-N-methylpropan-2-amine?
The InChIKey is XUIWGELOQWLAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-18-16(17(19-2)14-8-9-14)11-12-6-7-13-4-3-5-15(13)10-12/h6-7,10,14,16-18H,3-5,8-9,11H2,1-2H3.
What are the key properties of 1-cyclopropyl-3-(2,3-dihydro-1H-inden-5-yl)-1-methoxy-N-methylpropan-2-amine?
1-cyclopropyl-3-(2,3-dihydro-1H-inden-5-yl)-1-methoxy-N-methylpropan-2-amine has a molecular weight of 259.39 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2,3-dihydro-1H-inden-5-yl)-1-methoxy-N-methylpropan-2-amine is sourced from PubChem (CID 116722108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).