(5-methoxy-2-methyl-1-propan-2-ylindol-3-yl)methanamine

C14H20N2O — CID 83860104

IUPAC(5-methoxy-2-methyl-1-propan-2-ylindol-3-yl)methanamine
SMILESCOc1ccc2c(c1)c(CN)c(C)n2C(C)C
InChIInChI=1S/C14H20N2O/c1-9(2)16-10(3)13(8-15)12-7-11(17-4)5-6-14(12)16/h5-7,9H,8,15H2,1-4H3
InChIKeyHBPBCQHAKZWRTQ-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.00
Rot. Bonds3

About (5-methoxy-2-methyl-1-propan-2-ylindol-3-yl)methanamine

(5-methoxy-2-methyl-1-propan-2-ylindol-3-yl)methanamine (PubChem CID 83860104) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (5-methoxy-2-methyl-1-propan-2-ylindol-3-yl)methanamine.

Molecular Properties

Compound Name(5-methoxy-2-methyl-1-propan-2-ylindol-3-yl)methanamine
PubChem CID83860104
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(5-methoxy-2-methyl-1-propan-2-ylindol-3-yl)methanamine
SMILESCOc1ccc2c(c1)c(CN)c(C)n2C(C)C
InChIInChI=1S/C14H20N2O/c1-9(2)16-10(3)13(8-15)12-7-11(17-4)5-6-14(12)16/h5-7,9H,8,15H2,1-4H3
InChIKeyHBPBCQHAKZWRTQ-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-methoxy-2-methyl-1-propan-2-ylindol-3-yl)methanamine?
The IUPAC name of (5-methoxy-2-methyl-1-propan-2-ylindol-3-yl)methanamine (CID 83860104) is (5-methoxy-2-methyl-1-propan-2-ylindol-3-yl)methanamine.
What is the SMILES notation for (5-methoxy-2-methyl-1-propan-2-ylindol-3-yl)methanamine?
The canonical SMILES for (5-methoxy-2-methyl-1-propan-2-ylindol-3-yl)methanamine is COc1ccc2c(c1)c(CN)c(C)n2C(C)C.
What is the InChIKey of (5-methoxy-2-methyl-1-propan-2-ylindol-3-yl)methanamine?
The InChIKey is HBPBCQHAKZWRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-9(2)16-10(3)13(8-15)12-7-11(17-4)5-6-14(12)16/h5-7,9H,8,15H2,1-4H3.
What are the key properties of (5-methoxy-2-methyl-1-propan-2-ylindol-3-yl)methanamine?
(5-methoxy-2-methyl-1-propan-2-ylindol-3-yl)methanamine has a molecular weight of 232.33 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-2-methyl-1-propan-2-ylindol-3-yl)methanamine is sourced from PubChem (CID 83860104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).