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

C21H29N3O — CID 46963129

IUPAC1-(2-cyclopentyloxyphenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)methanamine
SMILESCN(Cc1ccccc1OC1CCCC1)Cc1n[nH]c2c1CCCC2
InChIInChI=1S/C21H29N3O/c1-24(15-20-18-11-5-6-12-19(18)22-23-20)14-16-8-2-7-13-21(16)25-17-9-3-4-10-17/h2,7-8,13,17H,3-6,9-12,14-15H2,1H3,(H,22,23)
InChIKeyHOXDLUZMBMYAPR-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.24
Rot. Bonds6

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

1-(2-cyclopentyloxyphenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)methanamine (PubChem CID 46963129) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is 1-(2-cyclopentyloxyphenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(2-cyclopentyloxyphenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)methanamine
PubChem CID46963129
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC Name1-(2-cyclopentyloxyphenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)methanamine
SMILESCN(Cc1ccccc1OC1CCCC1)Cc1n[nH]c2c1CCCC2
InChIInChI=1S/C21H29N3O/c1-24(15-20-18-11-5-6-12-19(18)22-23-20)14-16-8-2-7-13-21(16)25-17-9-3-4-10-17/h2,7-8,13,17H,3-6,9-12,14-15H2,1H3,(H,22,23)
InChIKeyHOXDLUZMBMYAPR-UHFFFAOYSA-N
XLogP4.24
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[(2-cyclohexyloxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 177374490
5-[(2-cyclopentyloxyphenyl)methyl]-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 77094507
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-(2-methoxypyrimidin-5-yl)-N-methylmethanamine
CID 131917395
1-(2-chloro-4-ethoxy-5-methoxyphenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)methanamine
CID 46992531
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-1-pyrazolo[1,5-a]pyrimidin-3-ylmethanamine
CID 56722576
N-[(2-cyclohexyloxyphenyl)methyl]ethanamine
CID 43277237
3-(2-cyclopentyloxyphenyl)-N,N-dimethylpropan-1-amine
CID 170866480
N-methyl-1-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)methanamine
CID 124756382
2-[(2-cyclopentyloxyphenyl)methyl-methylamino]propanoic acid
CID 122036930
2-[[1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl(methyl)amino]methyl]pyridine-4-carbonitrile
CID 118762991
(1S)-N-[(2-cyclopentyloxyphenyl)methyl]-2-methoxy-N-methyl-1-pyridin-2-ylethanamine
CID 99948017
3-(naphthalen-1-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole
CID 71495985

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopentyloxyphenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)methanamine?
The IUPAC name of 1-(2-cyclopentyloxyphenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)methanamine (CID 46963129) is 1-(2-cyclopentyloxyphenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)methanamine.
What is the SMILES notation for 1-(2-cyclopentyloxyphenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)methanamine?
The canonical SMILES for 1-(2-cyclopentyloxyphenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)methanamine is CN(Cc1ccccc1OC1CCCC1)Cc1n[nH]c2c1CCCC2.
What is the InChIKey of 1-(2-cyclopentyloxyphenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)methanamine?
The InChIKey is HOXDLUZMBMYAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c1-24(15-20-18-11-5-6-12-19(18)22-23-20)14-16-8-2-7-13-21(16)25-17-9-3-4-10-17/h2,7-8,13,17H,3-6,9-12,14-15H2,1H3,(H,22,23).
What are the key properties of 1-(2-cyclopentyloxyphenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)methanamine?
1-(2-cyclopentyloxyphenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)methanamine has a molecular weight of 339.48 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopentyloxyphenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)methanamine is sourced from PubChem (CID 46963129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).