2-(6-chloro-5-methoxy-1H-indol-3-yl)-3-methylbutan-1-amine

C14H19ClN2O — CID 82501743

IUPAC2-(6-chloro-5-methoxy-1H-indol-3-yl)-3-methylbutan-1-amine
SMILESCOc1cc2c(C(CN)C(C)C)c[nH]c2cc1Cl
InChIInChI=1S/C14H19ClN2O/c1-8(2)10(6-16)11-7-17-13-5-12(15)14(18-3)4-9(11)13/h4-5,7-8,10,17H,6,16H2,1-3H3
InChIKeyOVVVRPSSAWRJHY-UHFFFAOYSA-N
MW266.77 g/mol
LogP3.53
Rot. Bonds4

About 2-(6-chloro-5-methoxy-1H-indol-3-yl)-3-methylbutan-1-amine

2-(6-chloro-5-methoxy-1H-indol-3-yl)-3-methylbutan-1-amine (PubChem CID 82501743) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 2-(6-chloro-5-methoxy-1H-indol-3-yl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-(6-chloro-5-methoxy-1H-indol-3-yl)-3-methylbutan-1-amine
PubChem CID82501743
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name2-(6-chloro-5-methoxy-1H-indol-3-yl)-3-methylbutan-1-amine
SMILESCOc1cc2c(C(CN)C(C)C)c[nH]c2cc1Cl
InChIInChI=1S/C14H19ClN2O/c1-8(2)10(6-16)11-7-17-13-5-12(15)14(18-3)4-9(11)13/h4-5,7-8,10,17H,6,16H2,1-3H3
InChIKeyOVVVRPSSAWRJHY-UHFFFAOYSA-N
XLogP3.53
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chloro-1H-indol-3-yl)-3-methylbutan-1-amine
CID 82496887
2-(7-methoxy-5-methyl-1H-indol-3-yl)-3-methylbutan-1-amine
CID 82498302
2-(2-methoxy-4-methylphenyl)-3-methylbutan-1-amine
CID 82395562
2-(2,4-dichloro-5-methoxyphenyl)propan-1-amine
CID 83895896
2-(5-chloro-4-methoxy-2-methylphenyl)propan-1-amine
CID 82284471
2-(2,5-dichloro-4-methoxyphenyl)-2-methoxyethanamine
CID 82297325
4-(6-chloro-5-methoxy-1H-indol-3-yl)butan-2-one
CID 82499388
ethyl 7-chloro-6-methoxy-4-sulfanylidene-1H-quinoline-3-carboxylate
CID 54772918
2-(2,5-dichloro-4-methoxyphenyl)-3-methoxypropan-1-amine
CID 116835620
6-chloro-5-methoxy-3-(piperazin-1-ylmethyl)-1H-indole
CID 98035174
2-amino-1-(2,5-dichloro-4-methoxyphenyl)ethanol
CID 82291508
1-(6-chloro-5-methoxy-3-methyl-1H-indol-2-yl)ethanamine
CID 84629248

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-5-methoxy-1H-indol-3-yl)-3-methylbutan-1-amine?
The IUPAC name of 2-(6-chloro-5-methoxy-1H-indol-3-yl)-3-methylbutan-1-amine (CID 82501743) is 2-(6-chloro-5-methoxy-1H-indol-3-yl)-3-methylbutan-1-amine.
What is the SMILES notation for 2-(6-chloro-5-methoxy-1H-indol-3-yl)-3-methylbutan-1-amine?
The canonical SMILES for 2-(6-chloro-5-methoxy-1H-indol-3-yl)-3-methylbutan-1-amine is COc1cc2c(C(CN)C(C)C)c[nH]c2cc1Cl.
What is the InChIKey of 2-(6-chloro-5-methoxy-1H-indol-3-yl)-3-methylbutan-1-amine?
The InChIKey is OVVVRPSSAWRJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-8(2)10(6-16)11-7-17-13-5-12(15)14(18-3)4-9(11)13/h4-5,7-8,10,17H,6,16H2,1-3H3.
What are the key properties of 2-(6-chloro-5-methoxy-1H-indol-3-yl)-3-methylbutan-1-amine?
2-(6-chloro-5-methoxy-1H-indol-3-yl)-3-methylbutan-1-amine has a molecular weight of 266.77 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-5-methoxy-1H-indol-3-yl)-3-methylbutan-1-amine is sourced from PubChem (CID 82501743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).