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

C18H22N2O — CID 82538749

IUPACN-[2-(4-methoxyphenyl)ethyl]-1-methyl-2,3-dihydroindol-5-amine
SMILESCOc1ccc(CCNc2ccc3c(c2)CCN3C)cc1
InChIInChI=1S/C18H22N2O/c1-20-12-10-15-13-16(5-8-18(15)20)19-11-9-14-3-6-17(21-2)7-4-14/h3-8,13,19H,9-12H2,1-2H3
InChIKeyZVEIDIHKGJUVLK-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.34
Rot. Bonds5

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

N-[2-(4-methoxyphenyl)ethyl]-1-methyl-2,3-dihydroindol-5-amine (PubChem CID 82538749) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-1-methyl-2,3-dihydroindol-5-amine.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-1-methyl-2,3-dihydroindol-5-amine
PubChem CID82538749
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-1-methyl-2,3-dihydroindol-5-amine
SMILESCOc1ccc(CCNc2ccc3c(c2)CCN3C)cc1
InChIInChI=1S/C18H22N2O/c1-20-12-10-15-13-16(5-8-18(15)20)19-11-9-14-3-6-17(21-2)7-4-14/h3-8,13,19H,9-12H2,1-2H3
InChIKeyZVEIDIHKGJUVLK-UHFFFAOYSA-N
XLogP3.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.34
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-[2-(4-methoxyphenoxy)ethyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine
CID 110452277
N-[2-(4-chlorophenyl)ethyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine
CID 110452234
N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-2,3-dihydroindol-5-amine
CID 82538656
N-ethyl-1-methyl-2,3-dihydroindol-5-amine
CID 82539913
3-[(1-methyl-2,3-dihydroindol-5-yl)amino]propan-1-ol
CID 82539750
2-methyl-N-[2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]propan-2-amine
CID 64867066
N-[2-(4-methoxyphenyl)ethyl]-4-propylaniline
CID 65429365
N-(2-methoxyethyl)-2-(1-methyl-2,3-dihydroindol-5-yl)ethanamine
CID 64867290
1-[2-(4-methoxyphenyl)ethyl]-2-methyl-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]guanidine;hydroiodide
CID 111170874
4-(aminomethyl)-N-[2-(4-methoxyphenyl)ethyl]aniline
CID 22693568
1-[5-[2-(4-chlorophenyl)ethylamino]-2,3-dihydroindol-1-yl]ethanone
CID 110452236
N-[2-(4-methoxyphenyl)ethyl]-3-methylaniline
CID 54763230

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-1-methyl-2,3-dihydroindol-5-amine?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-1-methyl-2,3-dihydroindol-5-amine (CID 82538749) is N-[2-(4-methoxyphenyl)ethyl]-1-methyl-2,3-dihydroindol-5-amine.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-1-methyl-2,3-dihydroindol-5-amine?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-1-methyl-2,3-dihydroindol-5-amine is COc1ccc(CCNc2ccc3c(c2)CCN3C)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-1-methyl-2,3-dihydroindol-5-amine?
The InChIKey is ZVEIDIHKGJUVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-20-12-10-15-13-16(5-8-18(15)20)19-11-9-14-3-6-17(21-2)7-4-14/h3-8,13,19H,9-12H2,1-2H3.
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-1-methyl-2,3-dihydroindol-5-amine?
N-[2-(4-methoxyphenyl)ethyl]-1-methyl-2,3-dihydroindol-5-amine has a molecular weight of 282.39 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-1-methyl-2,3-dihydroindol-5-amine is sourced from PubChem (CID 82538749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).