4-(2,3-dihydroindol-1-yl)butan-2-amine

C12H18N2 — CID 60748123

IUPAC4-(2,3-dihydroindol-1-yl)butan-2-amine
SMILESCC(N)CCN1CCc2ccccc21
InChIInChI=1S/C12H18N2/c1-10(13)6-8-14-9-7-11-4-2-3-5-12(11)14/h2-5,10H,6-9,13H2,1H3
InChIKeyXEPDBYZFGKDSQH-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.79
Rot. Bonds3

About 4-(2,3-dihydroindol-1-yl)butan-2-amine

4-(2,3-dihydroindol-1-yl)butan-2-amine (PubChem CID 60748123) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 4-(2,3-dihydroindol-1-yl)butan-2-amine.

Molecular Properties

Compound Name4-(2,3-dihydroindol-1-yl)butan-2-amine
PubChem CID60748123
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name4-(2,3-dihydroindol-1-yl)butan-2-amine
SMILESCC(N)CCN1CCc2ccccc21
InChIInChI=1S/C12H18N2/c1-10(13)6-8-14-9-7-11-4-2-3-5-12(11)14/h2-5,10H,6-9,13H2,1H3
InChIKeyXEPDBYZFGKDSQH-UHFFFAOYSA-N
XLogP1.79
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylbutyl)-2,3-dihydroindole
CID 143815180
4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-amine
CID 63468992
2-(2,3-dihydroindol-1-yl)ethanamine
CID 1072384
(2R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)butan-2-amine
CID 93302066
1-butyl-2,3-dihydroindole
CID 4167209
3-(2,3-dihydroindol-1-yl)-2-methylpropan-1-amine
CID 43174926
1-(2-iodoethyl)-2,3-dihydroindole
CID 131082836
2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide
CID 61274113
1-(chloromethyl)-2,3-dihydroindole
CID 59108457
1-(2,3-dihydroindol-1-yl)-3,3-dimethylbutan-2-amine
CID 16790029
2-(2,3-dihydroindol-1-yl)ethanol;hydrochloride
CID 169005265
3-(3,4-dihydro-2H-quinolin-1-yl)-1-(2-methylphenyl)propan-1-amine
CID 62629564

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindol-1-yl)butan-2-amine?
The IUPAC name of 4-(2,3-dihydroindol-1-yl)butan-2-amine (CID 60748123) is 4-(2,3-dihydroindol-1-yl)butan-2-amine.
What is the SMILES notation for 4-(2,3-dihydroindol-1-yl)butan-2-amine?
The canonical SMILES for 4-(2,3-dihydroindol-1-yl)butan-2-amine is CC(N)CCN1CCc2ccccc21.
What is the InChIKey of 4-(2,3-dihydroindol-1-yl)butan-2-amine?
The InChIKey is XEPDBYZFGKDSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-10(13)6-8-14-9-7-11-4-2-3-5-12(11)14/h2-5,10H,6-9,13H2,1H3.
What are the key properties of 4-(2,3-dihydroindol-1-yl)butan-2-amine?
4-(2,3-dihydroindol-1-yl)butan-2-amine has a molecular weight of 190.29 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroindol-1-yl)butan-2-amine is sourced from PubChem (CID 60748123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).