3-(furan-2-yl)-2-(1-methylindol-3-yl)propan-1-amine

C16H18N2O — CID 82021282

IUPAC3-(furan-2-yl)-2-(1-methylindol-3-yl)propan-1-amine
SMILESCn1cc(C(CN)Cc2ccco2)c2ccccc21
InChIInChI=1S/C16H18N2O/c1-18-11-15(14-6-2-3-7-16(14)18)12(10-17)9-13-5-4-8-19-13/h2-8,11-12H,9-10,17H2,1H3
InChIKeyCSEASVPGPJQMET-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.06
Rot. Bonds4

About 3-(furan-2-yl)-2-(1-methylindol-3-yl)propan-1-amine

3-(furan-2-yl)-2-(1-methylindol-3-yl)propan-1-amine (PubChem CID 82021282) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-(furan-2-yl)-2-(1-methylindol-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(furan-2-yl)-2-(1-methylindol-3-yl)propan-1-amine
PubChem CID82021282
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name3-(furan-2-yl)-2-(1-methylindol-3-yl)propan-1-amine
SMILESCn1cc(C(CN)Cc2ccco2)c2ccccc21
InChIInChI=1S/C16H18N2O/c1-18-11-15(14-6-2-3-7-16(14)18)12(10-17)9-13-5-4-8-19-13/h2-8,11-12H,9-10,17H2,1H3
InChIKeyCSEASVPGPJQMET-UHFFFAOYSA-N
XLogP3.06
TPSA44.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-2-(1-methylindol-3-yl)propan-1-amine
CID 116835610
2-amino-1-(1-methylindol-3-yl)ethanethiol
CID 116868623
(1R)-2-amino-1-(1-methylindol-3-yl)ethanol
CID 39238214
2-(2-ethoxyphenyl)-3-(furan-2-yl)propan-1-amine
CID 83974434
3-(furan-2-yl)-2-(2-methyl-1H-indol-3-yl)propan-1-amine
CID 83976669
2-(2,3-dichlorophenyl)-3-(1-methylindol-3-yl)propan-1-amine
CID 83975787
1-methyl-3-propan-2-ylindole
CID 10942942
2-(2,4-difluorophenyl)-3-(1-methylindol-3-yl)propan-1-amine
CID 83975209
2-(2,5-dimethoxyphenyl)-3-(furan-2-yl)propan-1-amine
CID 112509189
(1S)-3-amino-1-(1-methylindol-3-yl)propan-1-ol
CID 95438673
3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-(1-methylindol-3-yl)propanamide
CID 4266396
(1S)-2,2-dimethyl-1-(1-methylindol-3-yl)propan-1-amine;hydrochloride
CID 171241948

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-2-(1-methylindol-3-yl)propan-1-amine?
The IUPAC name of 3-(furan-2-yl)-2-(1-methylindol-3-yl)propan-1-amine (CID 82021282) is 3-(furan-2-yl)-2-(1-methylindol-3-yl)propan-1-amine.
What is the SMILES notation for 3-(furan-2-yl)-2-(1-methylindol-3-yl)propan-1-amine?
The canonical SMILES for 3-(furan-2-yl)-2-(1-methylindol-3-yl)propan-1-amine is Cn1cc(C(CN)Cc2ccco2)c2ccccc21.
What is the InChIKey of 3-(furan-2-yl)-2-(1-methylindol-3-yl)propan-1-amine?
The InChIKey is CSEASVPGPJQMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-18-11-15(14-6-2-3-7-16(14)18)12(10-17)9-13-5-4-8-19-13/h2-8,11-12H,9-10,17H2,1H3.
What are the key properties of 3-(furan-2-yl)-2-(1-methylindol-3-yl)propan-1-amine?
3-(furan-2-yl)-2-(1-methylindol-3-yl)propan-1-amine has a molecular weight of 254.33 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-2-(1-methylindol-3-yl)propan-1-amine is sourced from PubChem (CID 82021282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).