N-(furan-2-ylmethyl)-2-(4-methylindol-1-yl)ethanamine

C16H18N2O — CID 62562532

IUPACN-(furan-2-ylmethyl)-2-(4-methylindol-1-yl)ethanamine
SMILESCc1cccc2c1ccn2CCNCc1ccco1
InChIInChI=1S/C16H18N2O/c1-13-4-2-6-16-15(13)7-9-18(16)10-8-17-12-14-5-3-11-19-14/h2-7,9,11,17H,8,10,12H2,1H3
InChIKeyKWOARHVKEUSQLM-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.33
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-(4-methylindol-1-yl)ethanamine

N-(furan-2-ylmethyl)-2-(4-methylindol-1-yl)ethanamine (PubChem CID 62562532) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(4-methylindol-1-yl)ethanamine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(4-methylindol-1-yl)ethanamine
PubChem CID62562532
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC NameN-(furan-2-ylmethyl)-2-(4-methylindol-1-yl)ethanamine
SMILESCc1cccc2c1ccn2CCNCc1ccco1
InChIInChI=1S/C16H18N2O/c1-13-4-2-6-16-15(13)7-9-18(16)10-8-17-12-14-5-3-11-19-14/h2-7,9,11,17H,8,10,12H2,1H3
InChIKeyKWOARHVKEUSQLM-UHFFFAOYSA-N
XLogP3.33
TPSA30.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[2-(4-methylindol-1-yl)ethyl]propan-1-amine
CID 62563400
N-ethyl-3-(4-methylindol-1-yl)propan-1-amine
CID 62562010
N'-(2,6-dimethylphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine
CID 54809780
2-(benzimidazol-1-yl)-N-(furan-2-ylmethyl)ethanamine
CID 55023371
N-[(2,6-dimethylphenyl)methyl]-1-(furan-2-yl)methanamine
CID 81327593
1-(furan-2-yl)-N-[(1-propylindol-3-yl)methyl]methanamine
CID 94074131
3-[2-(furan-2-ylmethylamino)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685535
N,N'-bis(furan-2-ylmethyl)pentane-1,5-diamine
CID 170781680
5-[2-(furan-2-ylmethylamino)ethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 62567120
1-(3-methoxypropyl)-4-methylindole
CID 116620203
2-methyl-4-(4-methylindol-1-yl)butan-2-ol
CID 116620378
N'-(2-ethyl-6-methylphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine
CID 54809826

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(4-methylindol-1-yl)ethanamine?
The IUPAC name of N-(furan-2-ylmethyl)-2-(4-methylindol-1-yl)ethanamine (CID 62562532) is N-(furan-2-ylmethyl)-2-(4-methylindol-1-yl)ethanamine.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(4-methylindol-1-yl)ethanamine?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(4-methylindol-1-yl)ethanamine is Cc1cccc2c1ccn2CCNCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(4-methylindol-1-yl)ethanamine?
The InChIKey is KWOARHVKEUSQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-13-4-2-6-16-15(13)7-9-18(16)10-8-17-12-14-5-3-11-19-14/h2-7,9,11,17H,8,10,12H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-2-(4-methylindol-1-yl)ethanamine?
N-(furan-2-ylmethyl)-2-(4-methylindol-1-yl)ethanamine has a molecular weight of 254.33 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(4-methylindol-1-yl)ethanamine is sourced from PubChem (CID 62562532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).