N-methoxy-2-methyl-5-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)aniline

C22H28N2O2 — CID 143519080

IUPACN-methoxy-2-methyl-5-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)aniline
SMILESCONc1cc(-c2ccc3c(c2)CCC2(CCN(C)CC2)O3)ccc1C
InChIInChI=1S/C22H28N2O2/c1-16-4-5-18(15-20(16)23-25-3)17-6-7-21-19(14-17)8-9-22(26-21)10-12-24(2)13-11-22/h4-7,14-15,23H,8-13H2,1-3H3
InChIKeyXHDBZCWPLQKUMB-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.42
Rot. Bonds3

About N-methoxy-2-methyl-5-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)aniline

N-methoxy-2-methyl-5-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)aniline (PubChem CID 143519080) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-methoxy-2-methyl-5-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)aniline.

Molecular Properties

Compound NameN-methoxy-2-methyl-5-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)aniline
PubChem CID143519080
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN-methoxy-2-methyl-5-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)aniline
SMILESCONc1cc(-c2ccc3c(c2)CCC2(CCN(C)CC2)O3)ccc1C
InChIInChI=1S/C22H28N2O2/c1-16-4-5-18(15-20(16)23-25-3)17-6-7-21-19(14-17)8-9-22(26-21)10-12-24(2)13-11-22/h4-7,14-15,23H,8-13H2,1-3H3
InChIKeyXHDBZCWPLQKUMB-UHFFFAOYSA-N
XLogP4.42
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-(1-methylisoquinolin-6-yl)-1'-propylspiro[3,4-dihydrochromene-2,4'-piperidine]
CID 135125978
3-[6-(8-methylquinolin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]propanal
CID 135125829
1'-propyl-6-quinolin-3-ylspiro[3,4-dihydrochromene-2,4'-piperidine]
CID 135125977
6-(1-methylbenzimidazol-5-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide
CID 135125440
6-(4-methoxyphenyl)-1'-methylspiro[4H-1,3-benzodioxine-2,4'-piperidine]
CID 126475482
6-(5-methylimidazo[1,2-a]pyridin-6-yl)-1'-propan-2-yloxyspiro[3,4-dihydrochromene-2,4'-piperidine]
CID 142379803
3-(6-pyridin-4-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)propanal
CID 135124904
4-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-2,6-difluoro-N-(2-methoxyethyl)benzamide
CID 58199013
3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)pyridin-2-amine
CID 73053925
5-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-4-methyl-1H-pyridin-2-one
CID 58198913
6-(8-methylquinolin-7-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbaldehyde
CID 135141595
6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]
CID 141173693

Frequently Asked Questions

What is the IUPAC name of N-methoxy-2-methyl-5-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)aniline?
The IUPAC name of N-methoxy-2-methyl-5-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)aniline (CID 143519080) is N-methoxy-2-methyl-5-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)aniline.
What is the SMILES notation for N-methoxy-2-methyl-5-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)aniline?
The canonical SMILES for N-methoxy-2-methyl-5-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)aniline is CONc1cc(-c2ccc3c(c2)CCC2(CCN(C)CC2)O3)ccc1C.
What is the InChIKey of N-methoxy-2-methyl-5-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)aniline?
The InChIKey is XHDBZCWPLQKUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-16-4-5-18(15-20(16)23-25-3)17-6-7-21-19(14-17)8-9-22(26-21)10-12-24(2)13-11-22/h4-7,14-15,23H,8-13H2,1-3H3.
What are the key properties of N-methoxy-2-methyl-5-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)aniline?
N-methoxy-2-methyl-5-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)aniline has a molecular weight of 352.48 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-2-methyl-5-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)aniline is sourced from PubChem (CID 143519080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).