2-methoxy-4-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline

C18H22N2O — CID 62096342

IUPAC2-methoxy-4-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline
SMILESCOc1cc(C)ccc1NCc1ccc2c(c1)CCN2C
InChIInChI=1S/C18H22N2O/c1-13-4-6-16(18(10-13)21-3)19-12-14-5-7-17-15(11-14)8-9-20(17)2/h4-7,10-11,19H,8-9,12H2,1-3H3
InChIKeyMYVQEYWDAUELFH-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.61
Rot. Bonds4

About 2-methoxy-4-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline

2-methoxy-4-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline (PubChem CID 62096342) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-methoxy-4-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline.

Molecular Properties

Compound Name2-methoxy-4-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline
PubChem CID62096342
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name2-methoxy-4-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline
SMILESCOc1cc(C)ccc1NCc1ccc2c(c1)CCN2C
InChIInChI=1S/C18H22N2O/c1-13-4-6-16(18(10-13)21-3)19-12-14-5-7-17-15(11-14)8-9-20(17)2/h4-7,10-11,19H,8-9,12H2,1-3H3
InChIKeyMYVQEYWDAUELFH-UHFFFAOYSA-N
XLogP3.61
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-4-methyl-N-[(4-methylphenyl)methyl]aniline
CID 54865900
N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-2,3-dihydroindol-5-amine
CID 82538656
2,4-difluoro-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline
CID 62096658
6-chloro-2-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pyridin-3-amine
CID 107266378
2-methoxy-4-methyl-N-[(3-methylphenyl)methyl]aniline
CID 54865901
N-methoxy-1-(1-methyl-2,3-dihydroindol-5-yl)methanamine
CID 82706033
2-bromo-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline
CID 55034920
N-[(4-tert-butylphenyl)methyl]-2-methoxy-4-methylaniline
CID 63451276
3-bromo-2-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline
CID 107629922
N-benzyl-2-methoxy-4-methylaniline
CID 54865649
1-(1-methyl-2,3-dihydroindol-5-yl)-N-[(3-methylphenyl)methyl]methanamine
CID 62094945
N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-4-methylaniline
CID 55040204

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline?
The IUPAC name of 2-methoxy-4-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline (CID 62096342) is 2-methoxy-4-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline.
What is the SMILES notation for 2-methoxy-4-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline?
The canonical SMILES for 2-methoxy-4-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline is COc1cc(C)ccc1NCc1ccc2c(c1)CCN2C.
What is the InChIKey of 2-methoxy-4-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline?
The InChIKey is MYVQEYWDAUELFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-13-4-6-16(18(10-13)21-3)19-12-14-5-7-17-15(11-14)8-9-20(17)2/h4-7,10-11,19H,8-9,12H2,1-3H3.
What are the key properties of 2-methoxy-4-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline?
2-methoxy-4-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline has a molecular weight of 282.39 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline is sourced from PubChem (CID 62096342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).