3-[(4-methoxy-1H-indazol-5-yl)oxy]-N,N-dimethylcyclohexan-1-amine;hydrochloride

C16H24ClN3O2 — CID 18447462

IUPAC3-[(4-methoxy-1H-indazol-5-yl)oxy]-N,N-dimethylcyclohexan-1-amine;hydrochloride
SMILESCOc1c(OC2CCCC(N(C)C)C2)ccc2[nH]ncc12.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-19(2)11-5-4-6-12(9-11)21-15-8-7-14-13(10-17-18-14)16(15)20-3;/h7-8,10-12H,4-6,9H2,1-3H3,(H,17,18);1H
InChIKeyPIUPUUCIXKMPHJ-UHFFFAOYSA-N
MW325.84 g/mol
LogP3.24
Rot. Bonds4

About 3-[(4-methoxy-1H-indazol-5-yl)oxy]-N,N-dimethylcyclohexan-1-amine;hydrochloride

3-[(4-methoxy-1H-indazol-5-yl)oxy]-N,N-dimethylcyclohexan-1-amine;hydrochloride (PubChem CID 18447462) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is 3-[(4-methoxy-1H-indazol-5-yl)oxy]-N,N-dimethylcyclohexan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-[(4-methoxy-1H-indazol-5-yl)oxy]-N,N-dimethylcyclohexan-1-amine;hydrochloride
PubChem CID18447462
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC Name3-[(4-methoxy-1H-indazol-5-yl)oxy]-N,N-dimethylcyclohexan-1-amine;hydrochloride
SMILESCOc1c(OC2CCCC(N(C)C)C2)ccc2[nH]ncc12.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-19(2)11-5-4-6-12(9-11)21-15-8-7-14-13(10-17-18-14)16(15)20-3;/h7-8,10-12H,4-6,9H2,1-3H3,(H,17,18);1H
InChIKeyPIUPUUCIXKMPHJ-UHFFFAOYSA-N
XLogP3.24
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1S,3S)-3-[(4-ethyl-1H-indazol-5-yl)oxy]-N,N-dimethylcyclohexan-1-amine
CID 69428580
N-[(1S,3R)-3-[(4-methoxy-1H-indazol-5-yl)oxy]cyclohexyl]acetamide
CID 69434044
N-methyl-N-[(1R,3S)-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexyl]aniline
CID 69432381
3-[(4-methyl-1H-indazol-5-yl)oxy]-N,N-dipropylcyclohexan-1-amine;hydrochloride
CID 18447582
3-[(4-methyl-1H-indazol-5-yl)oxy]-N,N-dipropylcyclohexan-1-amine
CID 18447529
N,N-dimethyl-4-[(4-methylsulfanyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine
CID 22933733
N-cyclopentyl-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine
CID 18447506
[(1R,3R)-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexyl]methanamine
CID 69432427
cis-(1S,3R)-3-[(4-ethylsulfanyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine
CID 69434428
N-(2-methoxyethyl)-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine
CID 18447379
N-(2,2-dimethylpropyl)-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine;hydrochloride
CID 18447475
4-[(4-propoxy-1H-indazol-5-yl)oxy]cyclohexan-1-amine;hydrochloride
CID 18447270

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxy-1H-indazol-5-yl)oxy]-N,N-dimethylcyclohexan-1-amine;hydrochloride?
The IUPAC name of 3-[(4-methoxy-1H-indazol-5-yl)oxy]-N,N-dimethylcyclohexan-1-amine;hydrochloride (CID 18447462) is 3-[(4-methoxy-1H-indazol-5-yl)oxy]-N,N-dimethylcyclohexan-1-amine;hydrochloride.
What is the SMILES notation for 3-[(4-methoxy-1H-indazol-5-yl)oxy]-N,N-dimethylcyclohexan-1-amine;hydrochloride?
The canonical SMILES for 3-[(4-methoxy-1H-indazol-5-yl)oxy]-N,N-dimethylcyclohexan-1-amine;hydrochloride is COc1c(OC2CCCC(N(C)C)C2)ccc2[nH]ncc12.Cl.
What is the InChIKey of 3-[(4-methoxy-1H-indazol-5-yl)oxy]-N,N-dimethylcyclohexan-1-amine;hydrochloride?
The InChIKey is PIUPUUCIXKMPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2.ClH/c1-19(2)11-5-4-6-12(9-11)21-15-8-7-14-13(10-17-18-14)16(15)20-3;/h7-8,10-12H,4-6,9H2,1-3H3,(H,17,18);1H.
What are the key properties of 3-[(4-methoxy-1H-indazol-5-yl)oxy]-N,N-dimethylcyclohexan-1-amine;hydrochloride?
3-[(4-methoxy-1H-indazol-5-yl)oxy]-N,N-dimethylcyclohexan-1-amine;hydrochloride has a molecular weight of 325.84 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxy-1H-indazol-5-yl)oxy]-N,N-dimethylcyclohexan-1-amine;hydrochloride is sourced from PubChem (CID 18447462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).