N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-methoxy-N-[(2-methylpyrazol-3-yl)methyl]ethanamine;hydrochloride

C17H25ClN4O — CID 120849581

IUPACN-(2,3-dihydro-1H-indol-7-ylmethyl)-2-methoxy-N-[(2-methylpyrazol-3-yl)methyl]ethanamine;hydrochloride
SMILESCOCCN(Cc1cccc2c1NCC2)Cc1ccnn1C.Cl
InChIInChI=1S/C17H24N4O.ClH/c1-20-16(7-9-19-20)13-21(10-11-22-2)12-15-5-3-4-14-6-8-18-17(14)15;/h3-5,7,9,18H,6,8,10-13H2,1-2H3;1H
InChIKeyKIIYYHRXWYKVBN-UHFFFAOYSA-N
MW336.87 g/mol
LogP2.46
Rot. Bonds7

About N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-methoxy-N-[(2-methylpyrazol-3-yl)methyl]ethanamine;hydrochloride

N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-methoxy-N-[(2-methylpyrazol-3-yl)methyl]ethanamine;hydrochloride (PubChem CID 120849581) has the molecular formula C17H25ClN4O and a molecular weight of 336.87 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-methoxy-N-[(2-methylpyrazol-3-yl)methyl]ethanamine;hydrochloride.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-indol-7-ylmethyl)-2-methoxy-N-[(2-methylpyrazol-3-yl)methyl]ethanamine;hydrochloride
PubChem CID120849581
Molecular FormulaC17H25ClN4O
Molecular Weight336.87 g/mol
Exact Mass336.17
IUPAC NameN-(2,3-dihydro-1H-indol-7-ylmethyl)-2-methoxy-N-[(2-methylpyrazol-3-yl)methyl]ethanamine;hydrochloride
SMILESCOCCN(Cc1cccc2c1NCC2)Cc1ccnn1C.Cl
InChIInChI=1S/C17H24N4O.ClH/c1-20-16(7-9-19-20)13-21(10-11-22-2)12-15-5-3-4-14-6-8-18-17(14)15;/h3-5,7,9,18H,6,8,10-13H2,1-2H3;1H
InChIKeyKIIYYHRXWYKVBN-UHFFFAOYSA-N
XLogP2.46
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.87
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2,3-dihydro-1H-indol-7-ylmethyl(2-methoxyethyl)amino]propanenitrile
CID 114327241
1-(4-chlorophenyl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine;hydrochloride
CID 120851953
N-(2,3-dihydro-1H-indol-7-ylmethyl)-N-ethyl-2,2-difluoroethanamine;hydrochloride
CID 120849154
N-(2,3-dihydro-1H-indol-7-ylmethyl)-N-methylpropan-2-amine
CID 114326986
N-(2,3-dihydro-1H-indol-7-ylmethyl)-N-ethyl-2-methylbutan-1-amine
CID 114327291
7-[(4-methyl-1,4-diazepan-1-yl)methyl]-2,3-dihydro-1H-indole
CID 113277962
3-methoxy-N-(2-methoxyethyl)-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)propan-1-amine
CID 104557423
methyl 2-[2,3-dihydro-1H-indol-7-ylmethyl-[(3,5-dimethoxyphenyl)methyl]amino]acetate;hydrochloride
CID 120848006
N-[(3,5-difluorophenyl)methyl]-1-(2,3-dihydro-1H-indol-7-yl)-N-methylmethanamine;hydrochloride
CID 120849308
N-(2,3-dihydro-1H-indol-7-ylmethyl)-N',N'-diethylethane-1,2-diamine
CID 80650079
N-(2,3-dihydro-1H-indol-7-ylmethyl)-N,2,2-trimethylcyclopropan-1-amine
CID 120848868
N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-methoxypentan-2-amine
CID 80649718

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-methoxy-N-[(2-methylpyrazol-3-yl)methyl]ethanamine;hydrochloride?
The IUPAC name of N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-methoxy-N-[(2-methylpyrazol-3-yl)methyl]ethanamine;hydrochloride (CID 120849581) is N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-methoxy-N-[(2-methylpyrazol-3-yl)methyl]ethanamine;hydrochloride.
What is the SMILES notation for N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-methoxy-N-[(2-methylpyrazol-3-yl)methyl]ethanamine;hydrochloride?
The canonical SMILES for N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-methoxy-N-[(2-methylpyrazol-3-yl)methyl]ethanamine;hydrochloride is COCCN(Cc1cccc2c1NCC2)Cc1ccnn1C.Cl.
What is the InChIKey of N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-methoxy-N-[(2-methylpyrazol-3-yl)methyl]ethanamine;hydrochloride?
The InChIKey is KIIYYHRXWYKVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O.ClH/c1-20-16(7-9-19-20)13-21(10-11-22-2)12-15-5-3-4-14-6-8-18-17(14)15;/h3-5,7,9,18H,6,8,10-13H2,1-2H3;1H.
What are the key properties of N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-methoxy-N-[(2-methylpyrazol-3-yl)methyl]ethanamine;hydrochloride?
N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-methoxy-N-[(2-methylpyrazol-3-yl)methyl]ethanamine;hydrochloride has a molecular weight of 336.87 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-methoxy-N-[(2-methylpyrazol-3-yl)methyl]ethanamine;hydrochloride is sourced from PubChem (CID 120849581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).