N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-2,3-dihydroindol-5-amine

C18H22N2O2 — CID 82538656

IUPACN-[(3,4-dimethoxyphenyl)methyl]-1-methyl-2,3-dihydroindol-5-amine
SMILESCOc1ccc(CNc2ccc3c(c2)CCN3C)cc1OC
InChIInChI=1S/C18H22N2O2/c1-20-9-8-14-11-15(5-6-16(14)20)19-12-13-4-7-17(21-2)18(10-13)22-3/h4-7,10-11,19H,8-9,12H2,1-3H3
InChIKeyZFPAYARIMXWFGW-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.31
Rot. Bonds5

About N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-2,3-dihydroindol-5-amine

N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-2,3-dihydroindol-5-amine (PubChem CID 82538656) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-2,3-dihydroindol-5-amine.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-1-methyl-2,3-dihydroindol-5-amine
PubChem CID82538656
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-1-methyl-2,3-dihydroindol-5-amine
SMILESCOc1ccc(CNc2ccc3c(c2)CCN3C)cc1OC
InChIInChI=1S/C18H22N2O2/c1-20-9-8-14-11-15(5-6-16(14)20)19-12-13-4-7-17(21-2)18(10-13)22-3/h4-7,10-11,19H,8-9,12H2,1-3H3
InChIKeyZFPAYARIMXWFGW-UHFFFAOYSA-N
XLogP3.31
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 62097571
2-methoxy-4-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline
CID 62096342
N-[2-(4-methoxyphenyl)ethyl]-1-methyl-2,3-dihydroindol-5-amine
CID 82538749
3-chloro-4-fluoro-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline
CID 62094953
2-fluoro-4-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]phenol
CID 64782991
N-ethyl-1-methyl-2,3-dihydroindol-5-amine
CID 82539913
3-methoxy-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline
CID 62096662
N-methoxy-1-(1-methyl-2,3-dihydroindol-5-yl)methanamine
CID 82706033
3-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]benzamide
CID 62097018
4-ethyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline
CID 62097544
N-[(3,4-dimethoxyphenyl)methyl]-1-methylindol-5-amine
CID 82538657
5-[(3,4-dimethoxyphenyl)methylamino]-2,2-dimethyl-3H-inden-1-one
CID 138591380

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-2,3-dihydroindol-5-amine?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-2,3-dihydroindol-5-amine (CID 82538656) is N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-2,3-dihydroindol-5-amine.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-2,3-dihydroindol-5-amine?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-2,3-dihydroindol-5-amine is COc1ccc(CNc2ccc3c(c2)CCN3C)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-2,3-dihydroindol-5-amine?
The InChIKey is ZFPAYARIMXWFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-20-9-8-14-11-15(5-6-16(14)20)19-12-13-4-7-17(21-2)18(10-13)22-3/h4-7,10-11,19H,8-9,12H2,1-3H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-2,3-dihydroindol-5-amine?
N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-2,3-dihydroindol-5-amine has a molecular weight of 298.39 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-2,3-dihydroindol-5-amine is sourced from PubChem (CID 82538656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).