1-cyclopropyl-3-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-1-methoxypropan-2-amine

C18H27NO — CID 116722394

IUPAC1-cyclopropyl-3-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-1-methoxypropan-2-amine
SMILESCCNC(Cc1ccc2c(c1)CCC2)C(OC)C1CC1
InChIInChI=1S/C18H27NO/c1-3-19-17(18(20-2)15-9-10-15)12-13-7-8-14-5-4-6-16(14)11-13/h7-8,11,15,17-19H,3-6,9-10,12H2,1-2H3
InChIKeyKUBHZMYTQTYHRX-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.12
Rot. Bonds7

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

1-cyclopropyl-3-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-1-methoxypropan-2-amine (PubChem CID 116722394) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-1-methoxypropan-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-3-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-1-methoxypropan-2-amine
PubChem CID116722394
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name1-cyclopropyl-3-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-1-methoxypropan-2-amine
SMILESCCNC(Cc1ccc2c(c1)CCC2)C(OC)C1CC1
InChIInChI=1S/C18H27NO/c1-3-19-17(18(20-2)15-9-10-15)12-13-7-8-14-5-4-6-16(14)11-13/h7-8,11,15,17-19H,3-6,9-10,12H2,1-2H3
InChIKeyKUBHZMYTQTYHRX-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-3-(2,3-dihydro-1H-inden-5-yl)-1-methoxy-N-methylpropan-2-amine
CID 116722108
3-(3-bromo-4-fluorophenyl)-1-cyclopropyl-N-ethyl-1-methoxypropan-2-amine
CID 116722487
1-cyclopropyl-N-ethyl-3-(3-fluorophenyl)-1-methoxypropan-2-amine
CID 116722529
1-cyclopropyl-3-(3,4-difluorophenyl)-1-methoxy-N-propylpropan-2-amine
CID 116722711
1-cyclopropyl-3-(3,4-dichlorophenyl)-1-ethoxy-N-ethylpropan-2-amine
CID 116723664
1-(2,3-dihydro-1H-inden-5-yl)-5-ethoxy-N-ethylpentan-2-amine
CID 105152368
3-(4-chlorophenyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine
CID 116723713
3-(4-chloro-3-fluorophenyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine
CID 107885188
1-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-5-methoxy-4-methylpentan-2-amine
CID 105152389
1-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 105152352
1-cyclopropyl-3-(3,5-difluorophenyl)-1-methoxy-N-propylpropan-2-amine
CID 105407026
2-cyclopropyl-N-ethyl-2-methoxy-1-[3-(2-methylpropyl)phenyl]ethanamine
CID 116722482

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-1-methoxypropan-2-amine?
The IUPAC name of 1-cyclopropyl-3-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-1-methoxypropan-2-amine (CID 116722394) is 1-cyclopropyl-3-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-1-methoxypropan-2-amine.
What is the SMILES notation for 1-cyclopropyl-3-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-1-methoxypropan-2-amine?
The canonical SMILES for 1-cyclopropyl-3-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-1-methoxypropan-2-amine is CCNC(Cc1ccc2c(c1)CCC2)C(OC)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-1-methoxypropan-2-amine?
The InChIKey is KUBHZMYTQTYHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-3-19-17(18(20-2)15-9-10-15)12-13-7-8-14-5-4-6-16(14)11-13/h7-8,11,15,17-19H,3-6,9-10,12H2,1-2H3.
What are the key properties of 1-cyclopropyl-3-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-1-methoxypropan-2-amine?
1-cyclopropyl-3-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-1-methoxypropan-2-amine has a molecular weight of 273.42 g/mol, XLogP of 3.12, 7 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)-N-ethyl-1-methoxypropan-2-amine is sourced from PubChem (CID 116722394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).