(7-chloro-4-methoxy-2-methyl-1H-indol-3-yl)methanamine

C11H13ClN2O — CID 82494649

IUPAC(7-chloro-4-methoxy-2-methyl-1H-indol-3-yl)methanamine
SMILESCOc1ccc(Cl)c2[nH]c(C)c(CN)c12
InChIInChI=1S/C11H13ClN2O/c1-6-7(5-13)10-9(15-2)4-3-8(12)11(10)14-6/h3-4,14H,5,13H2,1-2H3
InChIKeyIAPNADFUPWLOBV-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.60
Rot. Bonds2

About (7-chloro-4-methoxy-2-methyl-1H-indol-3-yl)methanamine

(7-chloro-4-methoxy-2-methyl-1H-indol-3-yl)methanamine (PubChem CID 82494649) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is (7-chloro-4-methoxy-2-methyl-1H-indol-3-yl)methanamine.

Molecular Properties

Compound Name(7-chloro-4-methoxy-2-methyl-1H-indol-3-yl)methanamine
PubChem CID82494649
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name(7-chloro-4-methoxy-2-methyl-1H-indol-3-yl)methanamine
SMILESCOc1ccc(Cl)c2[nH]c(C)c(CN)c12
InChIInChI=1S/C11H13ClN2O/c1-6-7(5-13)10-9(15-2)4-3-8(12)11(10)14-6/h3-4,14H,5,13H2,1-2H3
InChIKeyIAPNADFUPWLOBV-UHFFFAOYSA-N
XLogP2.60
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-chloro-4-methoxy-2-methyl-1H-indol-3-yl)propan-2-amine
CID 82499491
3-(7-chloro-4-methoxy-2-methyl-1H-indol-3-yl)-N-methylpropan-1-amine
CID 96678727
(4-chloro-7-methoxy-3-methyl-1H-indol-2-yl)methanamine
CID 83868244
2-(4-methoxy-2,7-dimethyl-1H-indol-3-yl)ethanamine
CID 105472778
7-chloro-4-methoxy-2-methyl-1H-indole-3-carbonitrile
CID 82494210
1-(4,7-dimethoxy-2-methyl-1H-indol-3-yl)-N-methylmethanamine
CID 82496369
2-(4,7-dimethoxy-2-methyl-1H-indol-3-yl)acetonitrile
CID 82495069
3-(5-chloro-8-methoxy-2-methyl-4-oxo-1H-quinolin-3-yl)propanenitrile
CID 82248574
(2-chloro-6-methoxy-3-methylphenyl)methanamine
CID 84769899
(5-chloro-8-methoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-bis(2-methylpropyl)azanium
CID 4531560
(2-ethyl-3,6-dimethoxyphenyl)methanamine
CID 84666315
7-chloro-3-ethyl-4-methoxy-1H-indole
CID 131972081

Frequently Asked Questions

What is the IUPAC name of (7-chloro-4-methoxy-2-methyl-1H-indol-3-yl)methanamine?
The IUPAC name of (7-chloro-4-methoxy-2-methyl-1H-indol-3-yl)methanamine (CID 82494649) is (7-chloro-4-methoxy-2-methyl-1H-indol-3-yl)methanamine.
What is the SMILES notation for (7-chloro-4-methoxy-2-methyl-1H-indol-3-yl)methanamine?
The canonical SMILES for (7-chloro-4-methoxy-2-methyl-1H-indol-3-yl)methanamine is COc1ccc(Cl)c2[nH]c(C)c(CN)c12.
What is the InChIKey of (7-chloro-4-methoxy-2-methyl-1H-indol-3-yl)methanamine?
The InChIKey is IAPNADFUPWLOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c1-6-7(5-13)10-9(15-2)4-3-8(12)11(10)14-6/h3-4,14H,5,13H2,1-2H3.
What are the key properties of (7-chloro-4-methoxy-2-methyl-1H-indol-3-yl)methanamine?
(7-chloro-4-methoxy-2-methyl-1H-indol-3-yl)methanamine has a molecular weight of 224.69 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-4-methoxy-2-methyl-1H-indol-3-yl)methanamine is sourced from PubChem (CID 82494649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).