N-ethyl-1-methyl-2,3-dihydroindol-5-amine

C11H16N2 — CID 82539913

IUPACN-ethyl-1-methyl-2,3-dihydroindol-5-amine
SMILESCCNc1ccc2c(c1)CCN2C
InChIInChI=1S/C11H16N2/c1-3-12-10-4-5-11-9(8-10)6-7-13(11)2/h4-5,8,12H,3,6-7H2,1-2H3
InChIKeyDFSSJDXXLYWKDK-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.11
Rot. Bonds2

About N-ethyl-1-methyl-2,3-dihydroindol-5-amine

N-ethyl-1-methyl-2,3-dihydroindol-5-amine (PubChem CID 82539913) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is N-ethyl-1-methyl-2,3-dihydroindol-5-amine.

Molecular Properties

Compound NameN-ethyl-1-methyl-2,3-dihydroindol-5-amine
PubChem CID82539913
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC NameN-ethyl-1-methyl-2,3-dihydroindol-5-amine
SMILESCCNc1ccc2c(c1)CCN2C
InChIInChI=1S/C11H16N2/c1-3-12-10-4-5-11-9(8-10)6-7-13(11)2/h4-5,8,12H,3,6-7H2,1-2H3
InChIKeyDFSSJDXXLYWKDK-UHFFFAOYSA-N
XLogP2.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1-methyl-2,3-dihydroindol-5-yl)hydrazine
CID 116997170
3-[(1-methyl-2,3-dihydroindol-5-yl)amino]propan-1-ol
CID 82539750
1-methyl-5-propyl-2,3-dihydroindole
CID 89046240
1-cyclopropyl-2-[(1-methyl-2,3-dihydroindol-5-yl)amino]ethanol
CID 165483721
1-[6-(ethylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 83967651
N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-2,3-dihydroindol-5-amine
CID 82538656
6-[(1-methyl-2,3-dihydroindol-5-yl)amino]hexanoic acid
CID 82539115
N-[2-(4-methoxyphenyl)ethyl]-1-methyl-2,3-dihydroindol-5-amine
CID 82538749
2-ethyl-N-(1-methyl-2,3-dihydroindol-5-yl)butanamide
CID 110729318
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 62097571
N',N'-dimethyl-N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethane-1,2-diamine
CID 82539703
1-methyl-N-naphthalen-2-yl-2,3-dihydroindol-5-amine
CID 82536270

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methyl-2,3-dihydroindol-5-amine?
The IUPAC name of N-ethyl-1-methyl-2,3-dihydroindol-5-amine (CID 82539913) is N-ethyl-1-methyl-2,3-dihydroindol-5-amine.
What is the SMILES notation for N-ethyl-1-methyl-2,3-dihydroindol-5-amine?
The canonical SMILES for N-ethyl-1-methyl-2,3-dihydroindol-5-amine is CCNc1ccc2c(c1)CCN2C.
What is the InChIKey of N-ethyl-1-methyl-2,3-dihydroindol-5-amine?
The InChIKey is DFSSJDXXLYWKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-3-12-10-4-5-11-9(8-10)6-7-13(11)2/h4-5,8,12H,3,6-7H2,1-2H3.
What are the key properties of N-ethyl-1-methyl-2,3-dihydroindol-5-amine?
N-ethyl-1-methyl-2,3-dihydroindol-5-amine has a molecular weight of 176.26 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methyl-2,3-dihydroindol-5-amine is sourced from PubChem (CID 82539913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).