6-[(5-ethyl-2-pyridinyl)methyl]-2,3-dihydro-1H-indole

C16H18N2 — CID 116698483

IUPAC6-[(5-ethyl-2-pyridinyl)methyl]-2,3-dihydro-1H-indole
SMILESCCc1ccc(Cc2ccc3c(c2)NCC3)nc1
InChIInChI=1S/C16H18N2/c1-2-12-4-6-15(18-11-12)9-13-3-5-14-7-8-17-16(14)10-13/h3-6,10-11,17H,2,7-9H2,1H3
InChIKeyURLVFIPVAAFPAY-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.20
Rot. Bonds3

About 6-[(5-ethyl-2-pyridinyl)methyl]-2,3-dihydro-1H-indole

6-[(5-ethyl-2-pyridinyl)methyl]-2,3-dihydro-1H-indole (PubChem CID 116698483) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 6-[(5-ethyl-2-pyridinyl)methyl]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name6-[(5-ethyl-2-pyridinyl)methyl]-2,3-dihydro-1H-indole
PubChem CID116698483
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name6-[(5-ethyl-2-pyridinyl)methyl]-2,3-dihydro-1H-indole
SMILESCCc1ccc(Cc2ccc3c(c2)NCC3)nc1
InChIInChI=1S/C16H18N2/c1-2-12-4-6-15(18-11-12)9-13-3-5-14-7-8-17-16(14)10-13/h3-6,10-11,17H,2,7-9H2,1H3
InChIKeyURLVFIPVAAFPAY-UHFFFAOYSA-N
XLogP3.20
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dihydro-1H-indol-6-ylmethyl)hexan-2-amine
CID 113382561
3-(2,3-dihydro-1H-indol-6-yl)propan-1-amine
CID 115105426
N-(2,3-dihydro-1H-indol-6-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102913648
3-(2,3-dihydro-1H-indol-6-yl)-N-propan-2-ylpropan-1-amine
CID 115105435
1-[(5-ethyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 79748375
N-(2,3-dihydro-1H-indol-6-ylmethyl)-N,2,2-trimethylpropan-1-amine
CID 113382557
6-(3,4-diethylphenyl)-2,3-dihydro-1H-indole
CID 116698615
N-[[5-[(5-ethyl-2-pyridinyl)methyl]-2-fluorophenyl]methyl]cyclopropanamine
CID 79723425
6-ethyl-2,3-dihydro-1H-indole;4-(4-fluorophenyl)-1,2,3,4-tetrahydropyridine
CID 168915291
3-[(5-ethyl-2-pyridinyl)methyl]cyclohex-2-en-1-one
CID 79737587
6-[(5-ethyl-2-pyridinyl)methyl]pyrimidin-4-amine
CID 79739090
6-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 106315075

Frequently Asked Questions

What is the IUPAC name of 6-[(5-ethyl-2-pyridinyl)methyl]-2,3-dihydro-1H-indole?
The IUPAC name of 6-[(5-ethyl-2-pyridinyl)methyl]-2,3-dihydro-1H-indole (CID 116698483) is 6-[(5-ethyl-2-pyridinyl)methyl]-2,3-dihydro-1H-indole.
What is the SMILES notation for 6-[(5-ethyl-2-pyridinyl)methyl]-2,3-dihydro-1H-indole?
The canonical SMILES for 6-[(5-ethyl-2-pyridinyl)methyl]-2,3-dihydro-1H-indole is CCc1ccc(Cc2ccc3c(c2)NCC3)nc1.
What is the InChIKey of 6-[(5-ethyl-2-pyridinyl)methyl]-2,3-dihydro-1H-indole?
The InChIKey is URLVFIPVAAFPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c1-2-12-4-6-15(18-11-12)9-13-3-5-14-7-8-17-16(14)10-13/h3-6,10-11,17H,2,7-9H2,1H3.
What are the key properties of 6-[(5-ethyl-2-pyridinyl)methyl]-2,3-dihydro-1H-indole?
6-[(5-ethyl-2-pyridinyl)methyl]-2,3-dihydro-1H-indole has a molecular weight of 238.33 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-ethyl-2-pyridinyl)methyl]-2,3-dihydro-1H-indole is sourced from PubChem (CID 116698483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).