1-(5-methoxy-1-propan-2-ylindol-2-yl)-N-methylmethanamine

C14H20N2O — CID 83860149

IUPAC1-(5-methoxy-1-propan-2-ylindol-2-yl)-N-methylmethanamine
SMILESCNCc1cc2cc(OC)ccc2n1C(C)C
InChIInChI=1S/C14H20N2O/c1-10(2)16-12(9-15-3)7-11-8-13(17-4)5-6-14(11)16/h5-8,10,15H,9H2,1-4H3
InChIKeyWHTRBKFYPQSNMO-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.95
Rot. Bonds4

About 1-(5-methoxy-1-propan-2-ylindol-2-yl)-N-methylmethanamine

1-(5-methoxy-1-propan-2-ylindol-2-yl)-N-methylmethanamine (PubChem CID 83860149) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-(5-methoxy-1-propan-2-ylindol-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-methoxy-1-propan-2-ylindol-2-yl)-N-methylmethanamine
PubChem CID83860149
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-(5-methoxy-1-propan-2-ylindol-2-yl)-N-methylmethanamine
SMILESCNCc1cc2cc(OC)ccc2n1C(C)C
InChIInChI=1S/C14H20N2O/c1-10(2)16-12(9-15-3)7-11-8-13(17-4)5-6-14(11)16/h5-8,10,15H,9H2,1-4H3
InChIKeyWHTRBKFYPQSNMO-UHFFFAOYSA-N
XLogP2.95
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-methoxy-1-propan-2-ylindol-2-yl)methanamine
CID 83860138
N-methyl-1-(6-methyl-1-propan-2-ylindol-2-yl)methanamine
CID 117185996
2-hydroxy-2-(5-methoxy-1-propan-2-ylindol-2-yl)acetic acid
CID 115072156
3-(6-methoxy-1-propan-2-ylindol-2-yl)-2-methylpropanoic acid
CID 117122967
1-(4-fluoro-1-propan-2-ylindol-2-yl)-N-methylmethanamine
CID 117173709
N-methyl-1-(5-methyl-1-propan-2-ylindol-2-yl)propan-2-amine
CID 117195171
2-[(4-fluorophenoxy)methyl]-5-methyl-1-propan-2-ylindole
CID 117185478
5-chloro-2-[(4-methylphenoxy)methyl]-1-propan-2-ylindole
CID 117177290
1-(5-methoxy-1,7-dimethylindol-2-yl)-N-methylmethanamine
CID 84622943
2-[(cyclopentylamino)methyl]-1-propan-2-ylindol-5-amine
CID 117177103
N-[(5-chloro-1-propan-2-ylindol-2-yl)methyl]cyclopentanamine
CID 117177106
N-methyl-2-(2-methyl-1-propan-2-ylindol-5-yl)ethanamine
CID 117204605

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-1-propan-2-ylindol-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(5-methoxy-1-propan-2-ylindol-2-yl)-N-methylmethanamine (CID 83860149) is 1-(5-methoxy-1-propan-2-ylindol-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-methoxy-1-propan-2-ylindol-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(5-methoxy-1-propan-2-ylindol-2-yl)-N-methylmethanamine is CNCc1cc2cc(OC)ccc2n1C(C)C.
What is the InChIKey of 1-(5-methoxy-1-propan-2-ylindol-2-yl)-N-methylmethanamine?
The InChIKey is WHTRBKFYPQSNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-10(2)16-12(9-15-3)7-11-8-13(17-4)5-6-14(11)16/h5-8,10,15H,9H2,1-4H3.
What are the key properties of 1-(5-methoxy-1-propan-2-ylindol-2-yl)-N-methylmethanamine?
1-(5-methoxy-1-propan-2-ylindol-2-yl)-N-methylmethanamine has a molecular weight of 232.33 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-1-propan-2-ylindol-2-yl)-N-methylmethanamine is sourced from PubChem (CID 83860149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).