N-(1H-indazol-7-ylmethyl)-1-[4-methyl-2-(oxolan-3-yloxy)phenyl]methanamine

C20H23N3O2 — CID 71970938

IUPACN-(1H-indazol-7-ylmethyl)-1-[4-methyl-2-(oxolan-3-yloxy)phenyl]methanamine
SMILESCc1ccc(CNCc2cccc3cn[nH]c23)c(OC2CCOC2)c1
InChIInChI=1S/C20H23N3O2/c1-14-5-6-15(19(9-14)25-18-7-8-24-13-18)10-21-11-16-3-2-4-17-12-22-23-20(16)17/h2-6,9,12,18,21H,7-8,10-11,13H2,1H3,(H,22,23)
InChIKeyDCBISBHIVSFSIL-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.33
Rot. Bonds6

About N-(1H-indazol-7-ylmethyl)-1-[4-methyl-2-(oxolan-3-yloxy)phenyl]methanamine

N-(1H-indazol-7-ylmethyl)-1-[4-methyl-2-(oxolan-3-yloxy)phenyl]methanamine (PubChem CID 71970938) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-(1H-indazol-7-ylmethyl)-1-[4-methyl-2-(oxolan-3-yloxy)phenyl]methanamine.

Molecular Properties

Compound NameN-(1H-indazol-7-ylmethyl)-1-[4-methyl-2-(oxolan-3-yloxy)phenyl]methanamine
PubChem CID71970938
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-(1H-indazol-7-ylmethyl)-1-[4-methyl-2-(oxolan-3-yloxy)phenyl]methanamine
SMILESCc1ccc(CNCc2cccc3cn[nH]c23)c(OC2CCOC2)c1
InChIInChI=1S/C20H23N3O2/c1-14-5-6-15(19(9-14)25-18-7-8-24-13-18)10-21-11-16-3-2-4-17-12-22-23-20(16)17/h2-6,9,12,18,21H,7-8,10-11,13H2,1H3,(H,22,23)
InChIKeyDCBISBHIVSFSIL-UHFFFAOYSA-N
XLogP3.33
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-methyl-2-(oxolan-3-yloxy)phenyl]-N-(quinolin-8-ylmethyl)methanamine
CID 71920257
N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]-1H-benzimidazol-2-amine
CID 133410920
N-(1H-indazol-7-ylmethyl)oxolan-3-amine
CID 115910621
3-(1H-imidazo[4,5-b]pyridin-2-yl)-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]propanamide
CID 139005782
N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]prop-2-enamide
CID 166406216
1-methyl-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine
CID 120971631
5-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methylamino]pyrazine-2-carbonitrile
CID 133491288
2-(methylamino)-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]acetamide;hydrochloride
CID 119812658
2-amino-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]-2-phenylacetamide;hydrochloride
CID 119340201
3-[2-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methylamino]-2-oxoethyl]benzoic acid
CID 120551363
2-amino-3-methoxy-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]propanamide
CID 120992488
2-amino-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]pentanamide;hydrochloride
CID 119340205

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-7-ylmethyl)-1-[4-methyl-2-(oxolan-3-yloxy)phenyl]methanamine?
The IUPAC name of N-(1H-indazol-7-ylmethyl)-1-[4-methyl-2-(oxolan-3-yloxy)phenyl]methanamine (CID 71970938) is N-(1H-indazol-7-ylmethyl)-1-[4-methyl-2-(oxolan-3-yloxy)phenyl]methanamine.
What is the SMILES notation for N-(1H-indazol-7-ylmethyl)-1-[4-methyl-2-(oxolan-3-yloxy)phenyl]methanamine?
The canonical SMILES for N-(1H-indazol-7-ylmethyl)-1-[4-methyl-2-(oxolan-3-yloxy)phenyl]methanamine is Cc1ccc(CNCc2cccc3cn[nH]c23)c(OC2CCOC2)c1.
What is the InChIKey of N-(1H-indazol-7-ylmethyl)-1-[4-methyl-2-(oxolan-3-yloxy)phenyl]methanamine?
The InChIKey is DCBISBHIVSFSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-14-5-6-15(19(9-14)25-18-7-8-24-13-18)10-21-11-16-3-2-4-17-12-22-23-20(16)17/h2-6,9,12,18,21H,7-8,10-11,13H2,1H3,(H,22,23).
What are the key properties of N-(1H-indazol-7-ylmethyl)-1-[4-methyl-2-(oxolan-3-yloxy)phenyl]methanamine?
N-(1H-indazol-7-ylmethyl)-1-[4-methyl-2-(oxolan-3-yloxy)phenyl]methanamine has a molecular weight of 337.42 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-7-ylmethyl)-1-[4-methyl-2-(oxolan-3-yloxy)phenyl]methanamine is sourced from PubChem (CID 71970938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).