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

C13H18N2O — CID 83860138

IUPAC(5-methoxy-1-propan-2-ylindol-2-yl)methanamine
SMILESCOc1ccc2c(c1)cc(CN)n2C(C)C
InChIInChI=1S/C13H18N2O/c1-9(2)15-11(8-14)6-10-7-12(16-3)4-5-13(10)15/h4-7,9H,8,14H2,1-3H3
InChIKeyCUJBAEWBJNIJGW-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.69
Rot. Bonds3

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

(5-methoxy-1-propan-2-ylindol-2-yl)methanamine (PubChem CID 83860138) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is (5-methoxy-1-propan-2-ylindol-2-yl)methanamine.

Molecular Properties

Compound Name(5-methoxy-1-propan-2-ylindol-2-yl)methanamine
PubChem CID83860138
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name(5-methoxy-1-propan-2-ylindol-2-yl)methanamine
SMILESCOc1ccc2c(c1)cc(CN)n2C(C)C
InChIInChI=1S/C13H18N2O/c1-9(2)15-11(8-14)6-10-7-12(16-3)4-5-13(10)15/h4-7,9H,8,14H2,1-3H3
InChIKeyCUJBAEWBJNIJGW-UHFFFAOYSA-N
XLogP2.69
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-methoxy-1-propan-2-ylindol-2-yl)-N-methylmethanamine
CID 83860149
(5-methoxy-2-methyl-1-propan-2-ylindol-3-yl)methanamine
CID 83860104
(6-methyl-1-propan-2-ylindol-2-yl)methanamine
CID 117122698
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
(1S)-1-(5-methoxy-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 83858310
(5-amino-1-propan-2-ylindol-2-yl)methanol
CID 117177413
3-(5-bromo-1-propan-2-ylindol-2-yl)propan-1-amine
CID 117121603
2-[(4-fluorophenoxy)methyl]-5-methyl-1-propan-2-ylindole
CID 117185478
5-chloro-2-[(4-methylphenoxy)methyl]-1-propan-2-ylindole
CID 117177290
[2-(piperidin-1-ylmethyl)-1-propan-2-ylindol-5-yl]methanamine
CID 117177017
[5-methoxy-1-(2-methylpropyl)benzimidazol-2-yl]methanamine
CID 82334328

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-1-propan-2-ylindol-2-yl)methanamine?
The IUPAC name of (5-methoxy-1-propan-2-ylindol-2-yl)methanamine (CID 83860138) is (5-methoxy-1-propan-2-ylindol-2-yl)methanamine.
What is the SMILES notation for (5-methoxy-1-propan-2-ylindol-2-yl)methanamine?
The canonical SMILES for (5-methoxy-1-propan-2-ylindol-2-yl)methanamine is COc1ccc2c(c1)cc(CN)n2C(C)C.
What is the InChIKey of (5-methoxy-1-propan-2-ylindol-2-yl)methanamine?
The InChIKey is CUJBAEWBJNIJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-9(2)15-11(8-14)6-10-7-12(16-3)4-5-13(10)15/h4-7,9H,8,14H2,1-3H3.
What are the key properties of (5-methoxy-1-propan-2-ylindol-2-yl)methanamine?
(5-methoxy-1-propan-2-ylindol-2-yl)methanamine has a molecular weight of 218.30 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-1-propan-2-ylindol-2-yl)methanamine is sourced from PubChem (CID 83860138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).