2-(6-chloro-2-methyl-1H-indol-3-yl)-3-methylbutan-1-amine

C14H19ClN2 — CID 82499289

IUPAC2-(6-chloro-2-methyl-1H-indol-3-yl)-3-methylbutan-1-amine
SMILESCc1[nH]c2cc(Cl)ccc2c1C(CN)C(C)C
InChIInChI=1S/C14H19ClN2/c1-8(2)12(7-16)14-9(3)17-13-6-10(15)4-5-11(13)14/h4-6,8,12,17H,7,16H2,1-3H3
InChIKeyYEFRWTBDCWLGHU-UHFFFAOYSA-N
MW250.77 g/mol
LogP3.83
Rot. Bonds3

About 2-(6-chloro-2-methyl-1H-indol-3-yl)-3-methylbutan-1-amine

2-(6-chloro-2-methyl-1H-indol-3-yl)-3-methylbutan-1-amine (PubChem CID 82499289) has the molecular formula C14H19ClN2 and a molecular weight of 250.77 g/mol. Its IUPAC name is 2-(6-chloro-2-methyl-1H-indol-3-yl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-(6-chloro-2-methyl-1H-indol-3-yl)-3-methylbutan-1-amine
PubChem CID82499289
Molecular FormulaC14H19ClN2
Molecular Weight250.77 g/mol
Exact Mass250.12
IUPAC Name2-(6-chloro-2-methyl-1H-indol-3-yl)-3-methylbutan-1-amine
SMILESCc1[nH]c2cc(Cl)ccc2c1C(CN)C(C)C
InChIInChI=1S/C14H19ClN2/c1-8(2)12(7-16)14-9(3)17-13-6-10(15)4-5-11(13)14/h4-6,8,12,17H,7,16H2,1-3H3
InChIKeyYEFRWTBDCWLGHU-UHFFFAOYSA-N
XLogP3.83
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-(6-chloro-2-methyl-1H-indol-3-yl)ethanamine
CID 28806617
2-(5-chloro-1H-indol-3-yl)-3-methylbutan-1-amine
CID 82496887
1-(2,6-dichloro-1H-indol-3-yl)ethanol
CID 82269694
N-(2-aminopropyl)-6-chloro-2-methyl-1H-indole-3-carboxamide
CID 110833712
2-(2,6-dimethyl-1H-indol-3-yl)-2-phenylethanamine
CID 82501486
2-(3-chloro-5-methylphenyl)-3-methylbutan-1-amine
CID 83703370
7-chloro-3-hydroxy-2-methyl-1H-quinolin-4-one
CID 70376894
3-(2-methyl-1H-indol-3-yl)butan-1-amine
CID 82397034
7-chloro-4-methyl-9H-carbazol-2-amine
CID 174859290
2-(6-chloro-2-methyl-1H-indol-3-yl)-N-ethylethanamine
CID 82496918
diethyl 2-[6-chloro-2-(2-chlorobenzoyl)-1H-indol-3-yl]propanedioate
CID 23003454
2-(5-bromo-2-methyl-1H-indol-3-yl)propan-1-amine
CID 82501769

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-methyl-1H-indol-3-yl)-3-methylbutan-1-amine?
The IUPAC name of 2-(6-chloro-2-methyl-1H-indol-3-yl)-3-methylbutan-1-amine (CID 82499289) is 2-(6-chloro-2-methyl-1H-indol-3-yl)-3-methylbutan-1-amine.
What is the SMILES notation for 2-(6-chloro-2-methyl-1H-indol-3-yl)-3-methylbutan-1-amine?
The canonical SMILES for 2-(6-chloro-2-methyl-1H-indol-3-yl)-3-methylbutan-1-amine is Cc1[nH]c2cc(Cl)ccc2c1C(CN)C(C)C.
What is the InChIKey of 2-(6-chloro-2-methyl-1H-indol-3-yl)-3-methylbutan-1-amine?
The InChIKey is YEFRWTBDCWLGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2/c1-8(2)12(7-16)14-9(3)17-13-6-10(15)4-5-11(13)14/h4-6,8,12,17H,7,16H2,1-3H3.
What are the key properties of 2-(6-chloro-2-methyl-1H-indol-3-yl)-3-methylbutan-1-amine?
2-(6-chloro-2-methyl-1H-indol-3-yl)-3-methylbutan-1-amine has a molecular weight of 250.77 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-methyl-1H-indol-3-yl)-3-methylbutan-1-amine is sourced from PubChem (CID 82499289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).