1-(2,3-dihydro-1H-inden-5-yl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine

C18H22N2 — CID 63305868

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
SMILESCc1cccnc1CNC(C)c1ccc2c(c1)CCC2
InChIInChI=1S/C18H22N2/c1-13-5-4-10-19-18(13)12-20-14(2)16-9-8-15-6-3-7-17(15)11-16/h4-5,8-11,14,20H,3,6-7,12H2,1-2H3
InChIKeyREDNAOPGRPGSDP-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.73
Rot. Bonds4

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

1-(2,3-dihydro-1H-inden-5-yl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine (PubChem CID 63305868) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
PubChem CID63305868
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
SMILESCc1cccnc1CNC(C)c1ccc2c(c1)CCC2
InChIInChI=1S/C18H22N2/c1-13-5-4-10-19-18(13)12-20-14(2)16-9-8-15-6-3-7-17(15)11-16/h4-5,8-11,14,20H,3,6-7,12H2,1-2H3
InChIKeyREDNAOPGRPGSDP-UHFFFAOYSA-N
XLogP3.73
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(4-methylphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
CID 103954544
5-[1-[(3-methyl-2-pyridinyl)methylamino]ethyl]benzene-1,3-diol
CID 107706544
N-[(3-methyl-2-pyridinyl)methyl]-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine
CID 81344827
(1S)-N-[(3-methyl-2-pyridinyl)methyl]-1-pyridin-4-ylethanamine
CID 103954568
N,N-dimethyl-4-[1-[(3-methyl-2-pyridinyl)methylamino]ethyl]aniline
CID 63305834
1-(2,3-dihydro-1H-inden-5-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 61281399
(1S)-1-(3-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
CID 95396037
1-(3-bromo-4-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
CID 63305921
1-(2,3-dihydro-1H-inden-5-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 103786274
N-[(2-methylpyrimidin-4-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 61015757
1-(2,3-dihydro-1H-inden-5-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 78971653
1-[4-(difluoromethoxy)phenyl]-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
CID 63305824

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine (CID 63305868) is 1-(2,3-dihydro-1H-inden-5-yl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine is Cc1cccnc1CNC(C)c1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine?
The InChIKey is REDNAOPGRPGSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-13-5-4-10-19-18(13)12-20-14(2)16-9-8-15-6-3-7-17(15)11-16/h4-5,8-11,14,20H,3,6-7,12H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine?
1-(2,3-dihydro-1H-inden-5-yl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine has a molecular weight of 266.39 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 63305868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).