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

C11H13ClN2O — CID 83868244

IUPAC(4-chloro-7-methoxy-3-methyl-1H-indol-2-yl)methanamine
SMILESCOc1ccc(Cl)c2c(C)c(CN)[nH]c12
InChIInChI=1S/C11H13ClN2O/c1-6-8(5-13)14-11-9(15-2)4-3-7(12)10(6)11/h3-4,14H,5,13H2,1-2H3
InChIKeyHQGHDZHAGTVDLS-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.60
Rot. Bonds2

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

(4-chloro-7-methoxy-3-methyl-1H-indol-2-yl)methanamine (PubChem CID 83868244) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is (4-chloro-7-methoxy-3-methyl-1H-indol-2-yl)methanamine.

Molecular Properties

Compound Name(4-chloro-7-methoxy-3-methyl-1H-indol-2-yl)methanamine
PubChem CID83868244
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name(4-chloro-7-methoxy-3-methyl-1H-indol-2-yl)methanamine
SMILESCOc1ccc(Cl)c2c(C)c(CN)[nH]c12
InChIInChI=1S/C11H13ClN2O/c1-6-8(5-13)14-11-9(15-2)4-3-7(12)10(6)11/h3-4,14H,5,13H2,1-2H3
InChIKeyHQGHDZHAGTVDLS-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

3-(4-chloro-7-methoxy-3-methyl-1H-indol-2-yl)propanenitrile
CID 84633289
(7-chloro-4-methoxy-2-methyl-1H-indol-3-yl)methanamine
CID 82494649
(7-methoxy-3,4-dimethyl-1H-indol-2-yl)methanol
CID 84620551
1-(4,7-dichloro-3-methyl-1H-indol-2-yl)-N-methylmethanamine
CID 83868253
1-(7-chloro-4-methoxy-2-methyl-1H-indol-3-yl)propan-2-amine
CID 82499491
3-(5-chloro-8-methoxy-2-methyl-4-oxo-1H-quinolin-3-yl)propanenitrile
CID 82248574
5-chloro-8-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 83843758
1-chloro-3-iodo-4-methoxy-2-methylbenzene
CID 91025767
(5-chloro-8-methoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-bis(2-methylpropyl)azanium
CID 4531560
7-chloro-4-methoxy-2-methyl-1H-indole-3-carbonitrile
CID 82494210
methyl 2-(5-chloro-8-methoxy-4-oxo-1H-quinolin-2-yl)acetate
CID 39234890
5-chloro-8-methoxy-9H-carbazole-1-carboxylic acid
CID 21399949

Frequently Asked Questions

What is the IUPAC name of (4-chloro-7-methoxy-3-methyl-1H-indol-2-yl)methanamine?
The IUPAC name of (4-chloro-7-methoxy-3-methyl-1H-indol-2-yl)methanamine (CID 83868244) is (4-chloro-7-methoxy-3-methyl-1H-indol-2-yl)methanamine.
What is the SMILES notation for (4-chloro-7-methoxy-3-methyl-1H-indol-2-yl)methanamine?
The canonical SMILES for (4-chloro-7-methoxy-3-methyl-1H-indol-2-yl)methanamine is COc1ccc(Cl)c2c(C)c(CN)[nH]c12.
What is the InChIKey of (4-chloro-7-methoxy-3-methyl-1H-indol-2-yl)methanamine?
The InChIKey is HQGHDZHAGTVDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c1-6-8(5-13)14-11-9(15-2)4-3-7(12)10(6)11/h3-4,14H,5,13H2,1-2H3.
What are the key properties of (4-chloro-7-methoxy-3-methyl-1H-indol-2-yl)methanamine?
(4-chloro-7-methoxy-3-methyl-1H-indol-2-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 (4-chloro-7-methoxy-3-methyl-1H-indol-2-yl)methanamine is sourced from PubChem (CID 83868244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).