2-(1,4,7-trimethylindol-3-yl)propan-1-amine

C14H20N2 — CID 82493196

IUPAC2-(1,4,7-trimethylindol-3-yl)propan-1-amine
SMILESCc1ccc(C)c2c1c(C(C)CN)cn2C
InChIInChI=1S/C14H20N2/c1-9-5-6-10(2)14-13(9)12(8-16(14)4)11(3)7-15/h5-6,8,11H,7,15H2,1-4H3
InChIKeyNREFWZBRHCHACM-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.86
Rot. Bonds2

About 2-(1,4,7-trimethylindol-3-yl)propan-1-amine

2-(1,4,7-trimethylindol-3-yl)propan-1-amine (PubChem CID 82493196) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 2-(1,4,7-trimethylindol-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-(1,4,7-trimethylindol-3-yl)propan-1-amine
PubChem CID82493196
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name2-(1,4,7-trimethylindol-3-yl)propan-1-amine
SMILESCc1ccc(C)c2c1c(C(C)CN)cn2C
InChIInChI=1S/C14H20N2/c1-9-5-6-10(2)14-13(9)12(8-16(14)4)11(3)7-15/h5-6,8,11H,7,15H2,1-4H3
InChIKeyNREFWZBRHCHACM-UHFFFAOYSA-N
XLogP2.86
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(1,4,7-trimethylindol-3-yl)ethanol
CID 82493670
2-(5-methoxy-1,7-dimethylindol-3-yl)propan-1-amine
CID 82495876
3-methyl-2-(1,6,7-trimethylindol-3-yl)butan-1-amine
CID 82497738
1-[1-(3-aminopropyl)-4,7-dimethylindol-3-yl]ethanol
CID 83944930
6-(1-aminopropan-2-yl)-2-fluoro-3-methylphenol
CID 117279608
2-(propan-2-ylamino)-1-(1,4,7-trimethylindol-3-yl)ethanone
CID 82500160
2-(4,6-dimethoxy-1-methylindol-3-yl)propan-1-amine
CID 82498789
2-(6-chloro-1-methylindol-3-yl)propan-1-amine
CID 82494528
2-[5-(difluoromethyl)-2-methylphenyl]propan-1-amine
CID 117288683
2-(2-propan-2-ylphenyl)propan-1-amine
CID 82599641
2-(5-tert-butyl-1-methylindol-3-yl)propan-1-amine
CID 82497727
3-(7-methoxy-1,4-dimethylindol-3-yl)propan-1-amine
CID 82495903

Frequently Asked Questions

What is the IUPAC name of 2-(1,4,7-trimethylindol-3-yl)propan-1-amine?
The IUPAC name of 2-(1,4,7-trimethylindol-3-yl)propan-1-amine (CID 82493196) is 2-(1,4,7-trimethylindol-3-yl)propan-1-amine.
What is the SMILES notation for 2-(1,4,7-trimethylindol-3-yl)propan-1-amine?
The canonical SMILES for 2-(1,4,7-trimethylindol-3-yl)propan-1-amine is Cc1ccc(C)c2c1c(C(C)CN)cn2C.
What is the InChIKey of 2-(1,4,7-trimethylindol-3-yl)propan-1-amine?
The InChIKey is NREFWZBRHCHACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-9-5-6-10(2)14-13(9)12(8-16(14)4)11(3)7-15/h5-6,8,11H,7,15H2,1-4H3.
What are the key properties of 2-(1,4,7-trimethylindol-3-yl)propan-1-amine?
2-(1,4,7-trimethylindol-3-yl)propan-1-amine has a molecular weight of 216.33 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4,7-trimethylindol-3-yl)propan-1-amine is sourced from PubChem (CID 82493196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).