1-(2-chloro-4-ethoxy-5-methoxyphenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)methanamine

C19H26ClN3O2 — CID 46992531

IUPAC1-(2-chloro-4-ethoxy-5-methoxyphenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)methanamine
SMILESCCOc1cc(Cl)c(CN(C)Cc2n[nH]c3c2CCCC3)cc1OC
InChIInChI=1S/C19H26ClN3O2/c1-4-25-19-10-15(20)13(9-18(19)24-3)11-23(2)12-17-14-7-5-6-8-16(14)21-22-17/h9-10H,4-8,11-12H2,1-3H3,(H,21,22)
InChIKeyYOQQITKRLVWFEN-UHFFFAOYSA-N
MW363.89 g/mol
LogP3.98
Rot. Bonds7

About 1-(2-chloro-4-ethoxy-5-methoxyphenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)methanamine

1-(2-chloro-4-ethoxy-5-methoxyphenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)methanamine (PubChem CID 46992531) has the molecular formula C19H26ClN3O2 and a molecular weight of 363.89 g/mol. Its IUPAC name is 1-(2-chloro-4-ethoxy-5-methoxyphenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(2-chloro-4-ethoxy-5-methoxyphenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)methanamine
PubChem CID46992531
Molecular FormulaC19H26ClN3O2
Molecular Weight363.89 g/mol
Exact Mass363.17
IUPAC Name1-(2-chloro-4-ethoxy-5-methoxyphenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)methanamine
SMILESCCOc1cc(Cl)c(CN(C)Cc2n[nH]c3c2CCCC3)cc1OC
InChIInChI=1S/C19H26ClN3O2/c1-4-25-19-10-15(20)13(9-18(19)24-3)11-23(2)12-17-14-7-5-6-8-16(14)21-22-17/h9-10H,4-8,11-12H2,1-3H3,(H,21,22)
InChIKeyYOQQITKRLVWFEN-UHFFFAOYSA-N
XLogP3.98
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.89
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-(2-methoxypyrimidin-5-yl)-N-methylmethanamine
CID 131917395
1-(2-cyclopentyloxyphenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)methanamine
CID 46963129
1-(2-chloro-4-ethoxy-5-methoxyphenyl)-N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 46989678
N-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]cyclooctanamine
CID 66532495
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-1-pyrazolo[1,5-a]pyrimidin-3-ylmethanamine
CID 56722576
2-[[1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl(methyl)amino]methyl]pyridine-4-carbonitrile
CID 118762991
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-N-methyl-1-(oxan-2-yl)methanamine
CID 77096960
4-[[(2-chloro-4-ethoxy-5-methoxyphenyl)methyl-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one
CID 46993373
N-[(3-ethoxy-4-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 46921220
4-[(2-chloro-5-ethoxy-4-methoxyphenyl)methylamino]-3-ethyl-1H-1,2,4-triazole-5-thione
CID 66541684
1-[1-methyl-5-[[methyl(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)amino]methyl]pyrrol-3-yl]ethanone
CID 77080279
1-[(2-chloro-5-ethoxy-4-methoxyphenyl)methylamino]propan-2-ol
CID 66532396

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-ethoxy-5-methoxyphenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)methanamine?
The IUPAC name of 1-(2-chloro-4-ethoxy-5-methoxyphenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)methanamine (CID 46992531) is 1-(2-chloro-4-ethoxy-5-methoxyphenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)methanamine.
What is the SMILES notation for 1-(2-chloro-4-ethoxy-5-methoxyphenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)methanamine?
The canonical SMILES for 1-(2-chloro-4-ethoxy-5-methoxyphenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)methanamine is CCOc1cc(Cl)c(CN(C)Cc2n[nH]c3c2CCCC3)cc1OC.
What is the InChIKey of 1-(2-chloro-4-ethoxy-5-methoxyphenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)methanamine?
The InChIKey is YOQQITKRLVWFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O2/c1-4-25-19-10-15(20)13(9-18(19)24-3)11-23(2)12-17-14-7-5-6-8-16(14)21-22-17/h9-10H,4-8,11-12H2,1-3H3,(H,21,22).
What are the key properties of 1-(2-chloro-4-ethoxy-5-methoxyphenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)methanamine?
1-(2-chloro-4-ethoxy-5-methoxyphenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)methanamine has a molecular weight of 363.89 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-ethoxy-5-methoxyphenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)methanamine is sourced from PubChem (CID 46992531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).