3-(furan-2-yl)-2-(2-methyl-1H-indol-3-yl)propan-1-amine

C16H18N2O — CID 83976669

IUPAC3-(furan-2-yl)-2-(2-methyl-1H-indol-3-yl)propan-1-amine
SMILESCc1[nH]c2ccccc2c1C(CN)Cc1ccco1
InChIInChI=1S/C16H18N2O/c1-11-16(14-6-2-3-7-15(14)18-11)12(10-17)9-13-5-4-8-19-13/h2-8,12,18H,9-10,17H2,1H3
InChIKeyCIYGBKDDIQQJLD-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.35
Rot. Bonds4

About 3-(furan-2-yl)-2-(2-methyl-1H-indol-3-yl)propan-1-amine

3-(furan-2-yl)-2-(2-methyl-1H-indol-3-yl)propan-1-amine (PubChem CID 83976669) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-(furan-2-yl)-2-(2-methyl-1H-indol-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(furan-2-yl)-2-(2-methyl-1H-indol-3-yl)propan-1-amine
PubChem CID83976669
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name3-(furan-2-yl)-2-(2-methyl-1H-indol-3-yl)propan-1-amine
SMILESCc1[nH]c2ccccc2c1C(CN)Cc1ccco1
InChIInChI=1S/C16H18N2O/c1-11-16(14-6-2-3-7-15(14)18-11)12(10-17)9-13-5-4-8-19-13/h2-8,12,18H,9-10,17H2,1H3
InChIKeyCIYGBKDDIQQJLD-UHFFFAOYSA-N
XLogP3.35
TPSA54.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-(2-methyl-1H-indol-3-yl)ethane-1,2-diamine
CID 131198811
3-(furan-2-yl)-2-(1-methylindol-3-yl)propan-1-amine
CID 82021282
3-(2-methyl-1H-indol-3-yl)butan-1-amine
CID 82397034
3-[1-(furan-2-yl)-2-nitroethyl]-2-methyl-1H-indole
CID 3137533
(1S)-3-fluoro-1-(2-methyl-1H-indol-3-yl)propan-1-amine;hydrochloride
CID 171226427
2-(2-methyl-1H-indol-3-yl)-2-morpholin-4-ylethanamine
CID 82301212
2-(2-ethoxyphenyl)-3-(furan-2-yl)propan-1-amine
CID 83974434
1-(2-methyl-1H-indol-3-yl)-2-methylsulfanylethanamine
CID 116830290
N-(furan-2-ylmethyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 31848406
(1S)-2,2-dimethyl-1-(2-methyl-1H-indol-3-yl)propan-1-amine
CID 131384165
1-N,1-N-dimethyl-1-(2-methyl-1H-indol-3-yl)propane-1,2-diamine
CID 82289370
(1R)-4-methyl-1-(2-methyl-1H-indol-3-yl)pentan-1-amine
CID 171206865

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-2-(2-methyl-1H-indol-3-yl)propan-1-amine?
The IUPAC name of 3-(furan-2-yl)-2-(2-methyl-1H-indol-3-yl)propan-1-amine (CID 83976669) is 3-(furan-2-yl)-2-(2-methyl-1H-indol-3-yl)propan-1-amine.
What is the SMILES notation for 3-(furan-2-yl)-2-(2-methyl-1H-indol-3-yl)propan-1-amine?
The canonical SMILES for 3-(furan-2-yl)-2-(2-methyl-1H-indol-3-yl)propan-1-amine is Cc1[nH]c2ccccc2c1C(CN)Cc1ccco1.
What is the InChIKey of 3-(furan-2-yl)-2-(2-methyl-1H-indol-3-yl)propan-1-amine?
The InChIKey is CIYGBKDDIQQJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-11-16(14-6-2-3-7-15(14)18-11)12(10-17)9-13-5-4-8-19-13/h2-8,12,18H,9-10,17H2,1H3.
What are the key properties of 3-(furan-2-yl)-2-(2-methyl-1H-indol-3-yl)propan-1-amine?
3-(furan-2-yl)-2-(2-methyl-1H-indol-3-yl)propan-1-amine has a molecular weight of 254.33 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-2-(2-methyl-1H-indol-3-yl)propan-1-amine is sourced from PubChem (CID 83976669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).