(2S)-4-(5-methoxy-1-methylindol-3-yl)butan-2-amine

C14H20N2O — CID 96673434

IUPAC(2S)-4-(5-methoxy-1-methylindol-3-yl)butan-2-amine
SMILESCOc1ccc2c(c1)c(CC[C@H](C)N)cn2C
InChIInChI=1S/C14H20N2O/c1-10(15)4-5-11-9-16(2)14-7-6-12(17-3)8-13(11)14/h6-10H,4-5,15H2,1-3H3/t10-/m0/s1
InChIKeyNNTURJCUDBPHGP-JTQLQIEISA-N
MW232.33 g/mol
LogP2.47
Rot. Bonds4

About (2S)-4-(5-methoxy-1-methylindol-3-yl)butan-2-amine

(2S)-4-(5-methoxy-1-methylindol-3-yl)butan-2-amine (PubChem CID 96673434) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (2S)-4-(5-methoxy-1-methylindol-3-yl)butan-2-amine.

Molecular Properties

Compound Name(2S)-4-(5-methoxy-1-methylindol-3-yl)butan-2-amine
PubChem CID96673434
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(2S)-4-(5-methoxy-1-methylindol-3-yl)butan-2-amine
SMILESCOc1ccc2c(c1)c(CC[C@H](C)N)cn2C
InChIInChI=1S/C14H20N2O/c1-10(15)4-5-11-9-16(2)14-7-6-12(17-3)8-13(11)14/h6-10H,4-5,15H2,1-3H3/t10-/m0/s1
InChIKeyNNTURJCUDBPHGP-JTQLQIEISA-N
XLogP2.47
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(5-methoxy-1-methylindol-3-yl)ethanamine
CID 96673433
5-methoxy-1-methyl-3-(2-piperazin-1-ylethyl)indole
CID 95432828
3-amino-3-(5-methoxy-1-methylindol-3-yl)propan-1-ol
CID 170875278
4-(5-methoxy-1,2-dimethylindol-3-yl)butan-2-amine
CID 82498291
4-(6-fluoro-1-methylindol-3-yl)butan-2-amine
CID 82494112
1-(5-methoxy-1-methylindol-3-yl)ethane-1,2-diamine
CID 170894776
3-(1-methyl-5-propan-2-yloxyindol-3-yl)propan-1-amine
CID 96675442
N-[(5-methoxy-1-methylindol-3-yl)methyl]-4-propan-2-yloxybenzenesulfonamide
CID 110371567
2-(5-ethoxy-1-methylindol-3-yl)ethanol
CID 82278619
2-[(5-methoxy-1-methylindol-3-yl)methyl]cyclopentan-1-amine
CID 84637267
diethyl 2-[2-[5-methoxy-1-tri(propan-2-yl)silylindol-3-yl]ethyl]propanedioate
CID 134906719
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 (2S)-4-(5-methoxy-1-methylindol-3-yl)butan-2-amine?
The IUPAC name of (2S)-4-(5-methoxy-1-methylindol-3-yl)butan-2-amine (CID 96673434) is (2S)-4-(5-methoxy-1-methylindol-3-yl)butan-2-amine.
What is the SMILES notation for (2S)-4-(5-methoxy-1-methylindol-3-yl)butan-2-amine?
The canonical SMILES for (2S)-4-(5-methoxy-1-methylindol-3-yl)butan-2-amine is COc1ccc2c(c1)c(CC[C@H](C)N)cn2C.
What is the InChIKey of (2S)-4-(5-methoxy-1-methylindol-3-yl)butan-2-amine?
The InChIKey is NNTURJCUDBPHGP-JTQLQIEISA-N. The full InChI is InChI=1S/C14H20N2O/c1-10(15)4-5-11-9-16(2)14-7-6-12(17-3)8-13(11)14/h6-10H,4-5,15H2,1-3H3/t10-/m0/s1.
What are the key properties of (2S)-4-(5-methoxy-1-methylindol-3-yl)butan-2-amine?
(2S)-4-(5-methoxy-1-methylindol-3-yl)butan-2-amine has a molecular weight of 232.33 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(5-methoxy-1-methylindol-3-yl)butan-2-amine is sourced from PubChem (CID 96673434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).