N-methyl-1-[1-[(5-methyl-3-pyridinyl)methyl]-2,3-dihydroindol-5-yl]ethanamine

C18H23N3 — CID 102880182

IUPACN-methyl-1-[1-[(5-methyl-3-pyridinyl)methyl]-2,3-dihydroindol-5-yl]ethanamine
SMILESCNC(C)c1ccc2c(c1)CCN2Cc1cncc(C)c1
InChIInChI=1S/C18H23N3/c1-13-8-15(11-20-10-13)12-21-7-6-17-9-16(14(2)19-3)4-5-18(17)21/h4-5,8-11,14,19H,6-7,12H2,1-3H3
InChIKeyPMUWQEFGQHGSPF-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.23
Rot. Bonds4

About N-methyl-1-[1-[(5-methyl-3-pyridinyl)methyl]-2,3-dihydroindol-5-yl]ethanamine

N-methyl-1-[1-[(5-methyl-3-pyridinyl)methyl]-2,3-dihydroindol-5-yl]ethanamine (PubChem CID 102880182) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-methyl-1-[1-[(5-methyl-3-pyridinyl)methyl]-2,3-dihydroindol-5-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[(5-methyl-3-pyridinyl)methyl]-2,3-dihydroindol-5-yl]ethanamine
PubChem CID102880182
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC NameN-methyl-1-[1-[(5-methyl-3-pyridinyl)methyl]-2,3-dihydroindol-5-yl]ethanamine
SMILESCNC(C)c1ccc2c(c1)CCN2Cc1cncc(C)c1
InChIInChI=1S/C18H23N3/c1-13-8-15(11-20-10-13)12-21-7-6-17-9-16(14(2)19-3)4-5-18(17)21/h4-5,8-11,14,19H,6-7,12H2,1-3H3
InChIKeyPMUWQEFGQHGSPF-UHFFFAOYSA-N
XLogP3.23
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-[1-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydroindol-5-yl]ethanamine
CID 102661692
1-[1-[(5-methyl-3-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine
CID 102880183
N-methyl-1-[1-[(1-methyltriazol-4-yl)methyl]-2,3-dihydroindol-5-yl]ethanamine
CID 107040766
N-methyl-1-[1-(2,2,2-trifluoroethyl)-2,3-dihydroindol-5-yl]ethanamine
CID 102661702
1-[1-(2-ethylbutyl)-2,3-dihydroindol-5-yl]-N-methylethanamine
CID 102661621
N-methyl-2-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide
CID 102661706
1-[1-(2-ethoxyethyl)-2,3-dihydroindol-5-yl]-N-methylethanamine
CID 102661632
2-methyl-4-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]butan-2-ol
CID 102661733
1-[1-[2-(diethylamino)ethyl]-2,3-dihydroindol-5-yl]-N-methylethanamine
CID 102661638
N,N-dimethyl-2-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide
CID 102661662
N-methyl-1-[1-(2-pyridin-2-ylethyl)-2,3-dihydroindol-5-yl]ethanamine
CID 102661667
3-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]-N-propan-2-ylpropanamide
CID 102661646

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[(5-methyl-3-pyridinyl)methyl]-2,3-dihydroindol-5-yl]ethanamine?
The IUPAC name of N-methyl-1-[1-[(5-methyl-3-pyridinyl)methyl]-2,3-dihydroindol-5-yl]ethanamine (CID 102880182) is N-methyl-1-[1-[(5-methyl-3-pyridinyl)methyl]-2,3-dihydroindol-5-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[1-[(5-methyl-3-pyridinyl)methyl]-2,3-dihydroindol-5-yl]ethanamine?
The canonical SMILES for N-methyl-1-[1-[(5-methyl-3-pyridinyl)methyl]-2,3-dihydroindol-5-yl]ethanamine is CNC(C)c1ccc2c(c1)CCN2Cc1cncc(C)c1.
What is the InChIKey of N-methyl-1-[1-[(5-methyl-3-pyridinyl)methyl]-2,3-dihydroindol-5-yl]ethanamine?
The InChIKey is PMUWQEFGQHGSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-13-8-15(11-20-10-13)12-21-7-6-17-9-16(14(2)19-3)4-5-18(17)21/h4-5,8-11,14,19H,6-7,12H2,1-3H3.
What are the key properties of N-methyl-1-[1-[(5-methyl-3-pyridinyl)methyl]-2,3-dihydroindol-5-yl]ethanamine?
N-methyl-1-[1-[(5-methyl-3-pyridinyl)methyl]-2,3-dihydroindol-5-yl]ethanamine has a molecular weight of 281.40 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[(5-methyl-3-pyridinyl)methyl]-2,3-dihydroindol-5-yl]ethanamine is sourced from PubChem (CID 102880182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).