N-(2,3-dihydro-1H-indol-7-ylmethyl)-N-ethyl-2,2-difluoroethanamine;hydrochloride

C13H19ClF2N2 — CID 120849154

IUPACN-(2,3-dihydro-1H-indol-7-ylmethyl)-N-ethyl-2,2-difluoroethanamine;hydrochloride
SMILESCCN(Cc1cccc2c1NCC2)CC(F)F.Cl
InChIInChI=1S/C13H18F2N2.ClH/c1-2-17(9-12(14)15)8-11-5-3-4-10-6-7-16-13(10)11;/h3-5,12,16H,2,6-9H2,1H3;1H
InChIKeyFOMAJHUZHPBKIJ-UHFFFAOYSA-N
MW276.76 g/mol
LogP3.16
Rot. Bonds5

About N-(2,3-dihydro-1H-indol-7-ylmethyl)-N-ethyl-2,2-difluoroethanamine;hydrochloride

N-(2,3-dihydro-1H-indol-7-ylmethyl)-N-ethyl-2,2-difluoroethanamine;hydrochloride (PubChem CID 120849154) has the molecular formula C13H19ClF2N2 and a molecular weight of 276.76 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-indol-7-ylmethyl)-N-ethyl-2,2-difluoroethanamine;hydrochloride.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-indol-7-ylmethyl)-N-ethyl-2,2-difluoroethanamine;hydrochloride
PubChem CID120849154
Molecular FormulaC13H19ClF2N2
Molecular Weight276.76 g/mol
Exact Mass276.12
IUPAC NameN-(2,3-dihydro-1H-indol-7-ylmethyl)-N-ethyl-2,2-difluoroethanamine;hydrochloride
SMILESCCN(Cc1cccc2c1NCC2)CC(F)F.Cl
InChIInChI=1S/C13H18F2N2.ClH/c1-2-17(9-12(14)15)8-11-5-3-4-10-6-7-16-13(10)11;/h3-5,12,16H,2,6-9H2,1H3;1H
InChIKeyFOMAJHUZHPBKIJ-UHFFFAOYSA-N
XLogP3.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.76
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dihydro-1H-indol-7-ylmethyl)-N-ethyl-2-methylbutan-1-amine
CID 114327291
N-(2,3-dihydro-1H-indol-7-ylmethyl)-N-methylpropan-2-amine
CID 114326986
N-(2,6-difluorophenyl)-2-[2,3-dihydro-1H-indol-7-ylmethyl(ethyl)amino]acetamide
CID 120847730
4-[[2,3-dihydro-1H-indol-7-ylmethyl(ethyl)amino]methyl]-N,N-dimethylbenzamide
CID 120848272
2-[2,3-dihydro-1H-indol-7-ylmethyl(ethyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 120847394
N-(2,3-dihydro-1H-indol-7-ylmethyl)-N',N'-diethylethane-1,2-diamine
CID 80650079
N-[(3,5-difluorophenyl)methyl]-1-(2,3-dihydro-1H-indol-7-yl)-N-methylmethanamine;hydrochloride
CID 120849308
N-butan-2-yl-N-(2,3-dihydro-1H-indol-7-ylmethyl)butan-1-amine
CID 114327155
N-(2,3-dihydro-1H-indol-7-ylmethyl)-N,2,2-trimethylcyclopropan-1-amine
CID 120848868
N-(2,3-dihydro-1H-indol-7-ylmethyl)-N,3,5-trimethylaniline
CID 114327187
3-[2,3-dihydro-1H-indol-7-ylmethyl(2-methoxyethyl)amino]propanenitrile
CID 114327241
N-(2,3-dihydro-1H-indol-7-ylmethyl)-N,4,4-trimethylcyclohexan-1-amine
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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-indol-7-ylmethyl)-N-ethyl-2,2-difluoroethanamine;hydrochloride?
The IUPAC name of N-(2,3-dihydro-1H-indol-7-ylmethyl)-N-ethyl-2,2-difluoroethanamine;hydrochloride (CID 120849154) is N-(2,3-dihydro-1H-indol-7-ylmethyl)-N-ethyl-2,2-difluoroethanamine;hydrochloride.
What is the SMILES notation for N-(2,3-dihydro-1H-indol-7-ylmethyl)-N-ethyl-2,2-difluoroethanamine;hydrochloride?
The canonical SMILES for N-(2,3-dihydro-1H-indol-7-ylmethyl)-N-ethyl-2,2-difluoroethanamine;hydrochloride is CCN(Cc1cccc2c1NCC2)CC(F)F.Cl.
What is the InChIKey of N-(2,3-dihydro-1H-indol-7-ylmethyl)-N-ethyl-2,2-difluoroethanamine;hydrochloride?
The InChIKey is FOMAJHUZHPBKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2.ClH/c1-2-17(9-12(14)15)8-11-5-3-4-10-6-7-16-13(10)11;/h3-5,12,16H,2,6-9H2,1H3;1H.
What are the key properties of N-(2,3-dihydro-1H-indol-7-ylmethyl)-N-ethyl-2,2-difluoroethanamine;hydrochloride?
N-(2,3-dihydro-1H-indol-7-ylmethyl)-N-ethyl-2,2-difluoroethanamine;hydrochloride has a molecular weight of 276.76 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-indol-7-ylmethyl)-N-ethyl-2,2-difluoroethanamine;hydrochloride is sourced from PubChem (CID 120849154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).