2-(5-methoxy-1,7-dimethylindol-3-yl)propan-1-amine

C14H20N2O — CID 82495876

IUPAC2-(5-methoxy-1,7-dimethylindol-3-yl)propan-1-amine
SMILESCOc1cc(C)c2c(c1)c(C(C)CN)cn2C
InChIInChI=1S/C14H20N2O/c1-9-5-11(17-4)6-12-13(10(2)7-15)8-16(3)14(9)12/h5-6,8,10H,7,15H2,1-4H3
InChIKeyWOODAJZNJFRXSB-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.56
Rot. Bonds3

About 2-(5-methoxy-1,7-dimethylindol-3-yl)propan-1-amine

2-(5-methoxy-1,7-dimethylindol-3-yl)propan-1-amine (PubChem CID 82495876) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-(5-methoxy-1,7-dimethylindol-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-(5-methoxy-1,7-dimethylindol-3-yl)propan-1-amine
PubChem CID82495876
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-(5-methoxy-1,7-dimethylindol-3-yl)propan-1-amine
SMILESCOc1cc(C)c2c(c1)c(C(C)CN)cn2C
InChIInChI=1S/C14H20N2O/c1-9-5-11(17-4)6-12-13(10(2)7-15)8-16(3)14(9)12/h5-6,8,10H,7,15H2,1-4H3
InChIKeyWOODAJZNJFRXSB-UHFFFAOYSA-N
XLogP2.56
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-methoxy-7-methyl-1H-indol-3-yl)propan-1-amine
CID 82493655
2-(4,6-dimethoxy-1-methylindol-3-yl)propan-1-amine
CID 82498789
2-(1,4,7-trimethylindol-3-yl)propan-1-amine
CID 82493196
2-(5,7-dimethoxy-1,2-dimethylindol-3-yl)propan-1-amine
CID 82501140
(5-methoxy-1,7-dimethyl-2-propan-2-ylindol-3-yl)methanamine
CID 84741800
5-(5-methoxy-1,7-dimethylindol-3-yl)-1,2-oxazol-3-amine
CID 84742378
2-(ethylamino)-1-(5-methoxy-1,7-dimethylindol-3-yl)ethanone
CID 96677625
2-[5-methoxy-1-(2-phenylethyl)indol-3-yl]propan-1-amine
CID 11130636
1-(5-methoxy-1-methylindol-3-yl)ethane-1,2-diamine
CID 170894776
2-(3-methoxy-4-methyl-2-propan-2-ylphenyl)propan-1-amine
CID 117317005
2-(6-chloro-1-methylindol-3-yl)propan-1-amine
CID 82494528
2-(3-methoxy-5-methylphenyl)propan-1-amine
CID 83696098

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-1,7-dimethylindol-3-yl)propan-1-amine?
The IUPAC name of 2-(5-methoxy-1,7-dimethylindol-3-yl)propan-1-amine (CID 82495876) is 2-(5-methoxy-1,7-dimethylindol-3-yl)propan-1-amine.
What is the SMILES notation for 2-(5-methoxy-1,7-dimethylindol-3-yl)propan-1-amine?
The canonical SMILES for 2-(5-methoxy-1,7-dimethylindol-3-yl)propan-1-amine is COc1cc(C)c2c(c1)c(C(C)CN)cn2C.
What is the InChIKey of 2-(5-methoxy-1,7-dimethylindol-3-yl)propan-1-amine?
The InChIKey is WOODAJZNJFRXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-9-5-11(17-4)6-12-13(10(2)7-15)8-16(3)14(9)12/h5-6,8,10H,7,15H2,1-4H3.
What are the key properties of 2-(5-methoxy-1,7-dimethylindol-3-yl)propan-1-amine?
2-(5-methoxy-1,7-dimethylindol-3-yl)propan-1-amine has a molecular weight of 232.33 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-1,7-dimethylindol-3-yl)propan-1-amine is sourced from PubChem (CID 82495876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).