N-methyl-1H-indol-4-amine;hydrochloride

C9H11ClN2 — CID 174419140

IUPACN-methyl-1H-indol-4-amine;hydrochloride
SMILESCNc1cccc2[nH]ccc12.Cl
InChIInChI=1S/C9H10N2.ClH/c1-10-8-3-2-4-9-7(8)5-6-11-9;/h2-6,10-11H,1H3;1H
InChIKeyNXLIYZWOURODGV-UHFFFAOYSA-N
MW182.65 g/mol
LogP2.63
Rot. Bonds1

About N-methyl-1H-indol-4-amine;hydrochloride

N-methyl-1H-indol-4-amine;hydrochloride (PubChem CID 174419140) has the molecular formula C9H11ClN2 and a molecular weight of 182.65 g/mol. Its IUPAC name is N-methyl-1H-indol-4-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1H-indol-4-amine;hydrochloride
PubChem CID174419140
Molecular FormulaC9H11ClN2
Molecular Weight182.65 g/mol
Exact Mass182.06
IUPAC NameN-methyl-1H-indol-4-amine;hydrochloride
SMILESCNc1cccc2[nH]ccc12.Cl
InChIInChI=1S/C9H10N2.ClH/c1-10-8-3-2-4-9-7(8)5-6-11-9;/h2-6,10-11H,1H3;1H
InChIKeyNXLIYZWOURODGV-UHFFFAOYSA-N
XLogP2.63
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.65
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

hydron;N-(1H-indol-4-yl)formamide
CID 174907409
N-(1H-indol-4-yl)-2,2-dimethylpropanamide
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propane;N-prop-1-en-2-yl-1H-indol-4-amine
CID 143997760
N-(1H-indol-4-yl)-4-(methylamino)butanamide;hydrochloride
CID 119706198
1H-indol-4-amine;hydrochloride
CID 22461572
1H-indol-4-ol
CID 102220556
N-(1H-indol-4-yl)-3,4-dimethylbenzenesulfonamide
CID 47093112
2,2,2-trifluoro-N-(1H-indol-4-yl)acetamide
CID 110470939
2-amino-N-(1H-indol-4-yl)acetamide
CID 110470011
fluoro N-(1H-indol-4-yl)carbamate
CID 174803649
N-(1H-indol-4-yl)-2-methyl-2-phenylpropanamide
CID 110473243
1H-indol-4-yl(dimethyl)borane
CID 58436931

Frequently Asked Questions

What is the IUPAC name of N-methyl-1H-indol-4-amine;hydrochloride?
The IUPAC name of N-methyl-1H-indol-4-amine;hydrochloride (CID 174419140) is N-methyl-1H-indol-4-amine;hydrochloride.
What is the SMILES notation for N-methyl-1H-indol-4-amine;hydrochloride?
The canonical SMILES for N-methyl-1H-indol-4-amine;hydrochloride is CNc1cccc2[nH]ccc12.Cl.
What is the InChIKey of N-methyl-1H-indol-4-amine;hydrochloride?
The InChIKey is NXLIYZWOURODGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2.ClH/c1-10-8-3-2-4-9-7(8)5-6-11-9;/h2-6,10-11H,1H3;1H.
What are the key properties of N-methyl-1H-indol-4-amine;hydrochloride?
N-methyl-1H-indol-4-amine;hydrochloride has a molecular weight of 182.65 g/mol, XLogP of 2.63, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1H-indol-4-amine;hydrochloride is sourced from PubChem (CID 174419140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).