N-(3-methoxyphenyl)-1-methyl-2,3-dihydroindol-5-amine

C16H18N2O — CID 82537037

IUPACN-(3-methoxyphenyl)-1-methyl-2,3-dihydroindol-5-amine
SMILESCOc1cccc(Nc2ccc3c(c2)CCN3C)c1
InChIInChI=1S/C16H18N2O/c1-18-9-8-12-10-14(6-7-16(12)18)17-13-4-3-5-15(11-13)19-2/h3-7,10-11,17H,8-9H2,1-2H3
InChIKeyXNTKYADNJYZCRR-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.43
Rot. Bonds3

About N-(3-methoxyphenyl)-1-methyl-2,3-dihydroindol-5-amine

N-(3-methoxyphenyl)-1-methyl-2,3-dihydroindol-5-amine (PubChem CID 82537037) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-1-methyl-2,3-dihydroindol-5-amine.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-1-methyl-2,3-dihydroindol-5-amine
PubChem CID82537037
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC NameN-(3-methoxyphenyl)-1-methyl-2,3-dihydroindol-5-amine
SMILESCOc1cccc(Nc2ccc3c(c2)CCN3C)c1
InChIInChI=1S/C16H18N2O/c1-18-9-8-12-10-14(6-7-16(12)18)17-13-4-3-5-15(11-13)19-2/h3-7,10-11,17H,8-9H2,1-2H3
InChIKeyXNTKYADNJYZCRR-UHFFFAOYSA-N
XLogP3.43
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxyphenyl)-1-methyl-3,4-dihydro-2H-quinolin-6-amine
CID 82537025
1-methyl-N-naphthalen-2-yl-2,3-dihydroindol-5-amine
CID 82536270
3-methoxy-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline
CID 62096662
(1-methyl-2,3-dihydroindol-5-yl)hydrazine
CID 116997170
N-[2-(4-methoxyphenyl)ethyl]-1-methyl-2,3-dihydroindol-5-amine
CID 82538749
1-[4-[(1-methyl-2,3-dihydroindol-5-yl)amino]phenyl]ethanone
CID 82536649
N-(4-fluorophenyl)-1-methyl-3,4-dihydro-2H-quinolin-6-amine
CID 82537194
N-(4-bromophenyl)-3-methoxyaniline
CID 54467433
2,3-dihydroindol-1-yl-[5-(3-methoxyanilino)-2-pyridinyl]methanone
CID 109197759
N'-(3-methoxyphenyl)-N-[2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 16802024
1-methyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3,4-dihydro-2H-quinolin-6-amine
CID 110452960
N-ethyl-1-methyl-2,3-dihydroindol-5-amine
CID 82539913

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-1-methyl-2,3-dihydroindol-5-amine?
The IUPAC name of N-(3-methoxyphenyl)-1-methyl-2,3-dihydroindol-5-amine (CID 82537037) is N-(3-methoxyphenyl)-1-methyl-2,3-dihydroindol-5-amine.
What is the SMILES notation for N-(3-methoxyphenyl)-1-methyl-2,3-dihydroindol-5-amine?
The canonical SMILES for N-(3-methoxyphenyl)-1-methyl-2,3-dihydroindol-5-amine is COc1cccc(Nc2ccc3c(c2)CCN3C)c1.
What is the InChIKey of N-(3-methoxyphenyl)-1-methyl-2,3-dihydroindol-5-amine?
The InChIKey is XNTKYADNJYZCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-18-9-8-12-10-14(6-7-16(12)18)17-13-4-3-5-15(11-13)19-2/h3-7,10-11,17H,8-9H2,1-2H3.
What are the key properties of N-(3-methoxyphenyl)-1-methyl-2,3-dihydroindol-5-amine?
N-(3-methoxyphenyl)-1-methyl-2,3-dihydroindol-5-amine has a molecular weight of 254.33 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-1-methyl-2,3-dihydroindol-5-amine is sourced from PubChem (CID 82537037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).