(2R)-4-(7-ethyl-1-methylindol-3-yl)butan-2-amine

C15H22N2 — CID 96673085

IUPAC(2R)-4-(7-ethyl-1-methylindol-3-yl)butan-2-amine
SMILESCCc1cccc2c(CC[C@@H](C)N)cn(C)c12
InChIInChI=1S/C15H22N2/c1-4-12-6-5-7-14-13(9-8-11(2)16)10-17(3)15(12)14/h5-7,10-11H,4,8-9,16H2,1-3H3/t11-/m1/s1
InChIKeyFUAQOADHMDTCII-LLVKDONJSA-N
MW230.35 g/mol
LogP3.02
Rot. Bonds4

About (2R)-4-(7-ethyl-1-methylindol-3-yl)butan-2-amine

(2R)-4-(7-ethyl-1-methylindol-3-yl)butan-2-amine (PubChem CID 96673085) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is (2R)-4-(7-ethyl-1-methylindol-3-yl)butan-2-amine.

Molecular Properties

Compound Name(2R)-4-(7-ethyl-1-methylindol-3-yl)butan-2-amine
PubChem CID96673085
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name(2R)-4-(7-ethyl-1-methylindol-3-yl)butan-2-amine
SMILESCCc1cccc2c(CC[C@@H](C)N)cn(C)c12
InChIInChI=1S/C15H22N2/c1-4-12-6-5-7-14-13(9-8-11(2)16)10-17(3)15(12)14/h5-7,10-11H,4,8-9,16H2,1-3H3/t11-/m1/s1
InChIKeyFUAQOADHMDTCII-LLVKDONJSA-N
XLogP3.02
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1,7-diethylindol-3-yl)butan-2-amine
CID 165438547
(2S)-4-naphthalen-1-ylbutan-2-amine
CID 93315345
2-(7-ethyl-1-methylindol-3-yl)acetamide
CID 82493072
2-(7-ethyl-1-methylindol-3-yl)-3-methylbutan-1-amine
CID 82497776
7-ethyl-1-methyl-3-[3-(4-methylpiperazin-1-yl)propyl]indole
CID 170864404
3-(7-ethyl-1-methylindol-3-yl)butanoic acid
CID 82278699
[3-(ethoxymethyl)-1-methylindol-7-yl]methanamine
CID 117181731
4-(6-fluoro-1-methylindol-3-yl)butan-2-amine
CID 82494112
(2S)-4-(5-methoxy-1-methylindol-3-yl)butan-2-amine
CID 96673434
2-(7-ethyl-1,2-dimethylindol-3-yl)propan-1-amine
CID 82495320
3-methyl-5-(1-methylindol-3-yl)pentan-2-one
CID 58492260
4-(6-ethyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-2-amine
CID 83983893

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(7-ethyl-1-methylindol-3-yl)butan-2-amine?
The IUPAC name of (2R)-4-(7-ethyl-1-methylindol-3-yl)butan-2-amine (CID 96673085) is (2R)-4-(7-ethyl-1-methylindol-3-yl)butan-2-amine.
What is the SMILES notation for (2R)-4-(7-ethyl-1-methylindol-3-yl)butan-2-amine?
The canonical SMILES for (2R)-4-(7-ethyl-1-methylindol-3-yl)butan-2-amine is CCc1cccc2c(CC[C@@H](C)N)cn(C)c12.
What is the InChIKey of (2R)-4-(7-ethyl-1-methylindol-3-yl)butan-2-amine?
The InChIKey is FUAQOADHMDTCII-LLVKDONJSA-N. The full InChI is InChI=1S/C15H22N2/c1-4-12-6-5-7-14-13(9-8-11(2)16)10-17(3)15(12)14/h5-7,10-11H,4,8-9,16H2,1-3H3/t11-/m1/s1.
What are the key properties of (2R)-4-(7-ethyl-1-methylindol-3-yl)butan-2-amine?
(2R)-4-(7-ethyl-1-methylindol-3-yl)butan-2-amine has a molecular weight of 230.35 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(7-ethyl-1-methylindol-3-yl)butan-2-amine is sourced from PubChem (CID 96673085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).