2-(2,5-dimethyl-1H-indol-3-yl)-N-(furan-2-ylmethyl)ethanamine;hydrochloride

C17H21ClN2O — CID 2770996

IUPAC2-(2,5-dimethyl-1H-indol-3-yl)-N-(furan-2-ylmethyl)ethanamine;hydrochloride
SMILESCc1ccc2[nH]c(C)c(CCNCc3ccco3)c2c1.Cl
InChIInChI=1S/C17H20N2O.ClH/c1-12-5-6-17-16(10-12)15(13(2)19-17)7-8-18-11-14-4-3-9-20-14;/h3-6,9-10,18-19H,7-8,11H2,1-2H3;1H
InChIKeyPMYCCZNZOFQHAE-UHFFFAOYSA-N
MW304.82 g/mol
LogP4.13
Rot. Bonds5

About 2-(2,5-dimethyl-1H-indol-3-yl)-N-(furan-2-ylmethyl)ethanamine;hydrochloride

2-(2,5-dimethyl-1H-indol-3-yl)-N-(furan-2-ylmethyl)ethanamine;hydrochloride (PubChem CID 2770996) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is 2-(2,5-dimethyl-1H-indol-3-yl)-N-(furan-2-ylmethyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(2,5-dimethyl-1H-indol-3-yl)-N-(furan-2-ylmethyl)ethanamine;hydrochloride
PubChem CID2770996
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC Name2-(2,5-dimethyl-1H-indol-3-yl)-N-(furan-2-ylmethyl)ethanamine;hydrochloride
SMILESCc1ccc2[nH]c(C)c(CCNCc3ccco3)c2c1.Cl
InChIInChI=1S/C17H20N2O.ClH/c1-12-5-6-17-16(10-12)15(13(2)19-17)7-8-18-11-14-4-3-9-20-14;/h3-6,9-10,18-19H,7-8,11H2,1-2H3;1H
InChIKeyPMYCCZNZOFQHAE-UHFFFAOYSA-N
XLogP4.13
TPSA40.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(9H-carbazol-9-yl)-3-(((furan-2-yl)methyl)amino)propan-2-ol
CID 652652
Bis(1H-2-indolyl)methanone 45
CID 5330541
1-(2,6-dimethyl-1H-indol-3-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 1932249
N-[4-(1H-indol-2-yl)phenyl]-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
CID 25459838
(2R)-N-[(2S)-1-(furan-2-ylmethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide
CID 10671411
N-(furan-2-ylmethyl)-2-methylquinoline-4-carboxamide
CID 2430333
N-(2-ethoxyphenyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 2563179
N-(furan-2-ylmethyl)-2-(2-methyl-1H-indol-3-yl)ethan-1-amine hydrochloride
CID 2770995
N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-N-(2-furylmethyl)-N'-methylthiourea
CID 3372572
1-[2-(2,5-Dimethyl-1H-indol-3-YL)ethyl]-1-[(furan-2-YL)methyl]-3-(2-methoxyethyl)thiourea
CID 4096357
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(2-methyl-1H-indol-3-yl)ethane-1,2-dione
CID 7117518
N-[2-(Furan-2-YL)ethyl]-1,2,3-trimethyl-1H-indole-5-carboxamide
CID 20940054

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethyl-1H-indol-3-yl)-N-(furan-2-ylmethyl)ethanamine;hydrochloride?
The IUPAC name of 2-(2,5-dimethyl-1H-indol-3-yl)-N-(furan-2-ylmethyl)ethanamine;hydrochloride (CID 2770996) is 2-(2,5-dimethyl-1H-indol-3-yl)-N-(furan-2-ylmethyl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(2,5-dimethyl-1H-indol-3-yl)-N-(furan-2-ylmethyl)ethanamine;hydrochloride?
The canonical SMILES for 2-(2,5-dimethyl-1H-indol-3-yl)-N-(furan-2-ylmethyl)ethanamine;hydrochloride is Cc1ccc2[nH]c(C)c(CCNCc3ccco3)c2c1.Cl.
What is the InChIKey of 2-(2,5-dimethyl-1H-indol-3-yl)-N-(furan-2-ylmethyl)ethanamine;hydrochloride?
The InChIKey is PMYCCZNZOFQHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O.ClH/c1-12-5-6-17-16(10-12)15(13(2)19-17)7-8-18-11-14-4-3-9-20-14;/h3-6,9-10,18-19H,7-8,11H2,1-2H3;1H.
What are the key properties of 2-(2,5-dimethyl-1H-indol-3-yl)-N-(furan-2-ylmethyl)ethanamine;hydrochloride?
2-(2,5-dimethyl-1H-indol-3-yl)-N-(furan-2-ylmethyl)ethanamine;hydrochloride has a molecular weight of 304.82 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethyl-1H-indol-3-yl)-N-(furan-2-ylmethyl)ethanamine;hydrochloride is sourced from PubChem (CID 2770996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).