2-amino-1-(1-ethylindol-3-yl)-2-methylpropan-1-one;hydrochloride

C14H19ClN2O — CID 14069757

IUPAC2-amino-1-(1-ethylindol-3-yl)-2-methylpropan-1-one;hydrochloride
SMILESCCn1cc(C(=O)C(C)(C)N)c2ccccc21.Cl
InChIInChI=1S/C14H18N2O.ClH/c1-4-16-9-11(13(17)14(2,3)15)10-7-5-6-8-12(10)16;/h5-9H,4,15H2,1-3H3;1H
InChIKeyYFWYTBXFBWCBQM-UHFFFAOYSA-N
MW266.77 g/mol
LogP3.00
Rot. Bonds3

About 2-amino-1-(1-ethylindol-3-yl)-2-methylpropan-1-one;hydrochloride

2-amino-1-(1-ethylindol-3-yl)-2-methylpropan-1-one;hydrochloride (PubChem CID 14069757) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 2-amino-1-(1-ethylindol-3-yl)-2-methylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name2-amino-1-(1-ethylindol-3-yl)-2-methylpropan-1-one;hydrochloride
PubChem CID14069757
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name2-amino-1-(1-ethylindol-3-yl)-2-methylpropan-1-one;hydrochloride
SMILESCCn1cc(C(=O)C(C)(C)N)c2ccccc21.Cl
InChIInChI=1S/C14H18N2O.ClH/c1-4-16-9-11(13(17)14(2,3)15)10-7-5-6-8-12(10)16;/h5-9H,4,15H2,1-3H3;1H
InChIKeyYFWYTBXFBWCBQM-UHFFFAOYSA-N
XLogP3.00
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(Z)-4-(1-ethylindol-3-yl)-1,1,1-trifluoro-4-hydroxybut-3-en-2-one
CID 139168536
2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetamide
CID 2174755
2-(ethylamino)-2-methyl-1-(1-prop-2-enylindol-3-yl)propan-1-one;hydrochloride
CID 14069779
2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetic acid
CID 3154371
methyl 2-[3-(2,2-dimethylpropanoyl)indol-1-yl]acetate
CID 2973654
acetic acid;1-ethylindol-3-ol
CID 71405602
N-[bis(diethylamino)phosphoryl]-1-ethylindole-3-carboxamide
CID 3468790
1-[1-[(2-fluorophenyl)methyl]indol-3-yl]-2,2-dimethylpropan-1-one
CID 4655393
methyl 1-(3-amino-3-methylbutyl)indole-3-carboxylate
CID 58875117
tris(1-ethylindol-3-yl)methanol
CID 142757847
2-(1,3-dioxoisoindol-2-yl)ethyl 1-ethylindole-3-carboxylate
CID 46640718
1-(1-ethylindol-3-yl)-2-(4-methylphenoxy)ethanone
CID 21380759

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1-ethylindol-3-yl)-2-methylpropan-1-one;hydrochloride?
The IUPAC name of 2-amino-1-(1-ethylindol-3-yl)-2-methylpropan-1-one;hydrochloride (CID 14069757) is 2-amino-1-(1-ethylindol-3-yl)-2-methylpropan-1-one;hydrochloride.
What is the SMILES notation for 2-amino-1-(1-ethylindol-3-yl)-2-methylpropan-1-one;hydrochloride?
The canonical SMILES for 2-amino-1-(1-ethylindol-3-yl)-2-methylpropan-1-one;hydrochloride is CCn1cc(C(=O)C(C)(C)N)c2ccccc21.Cl.
What is the InChIKey of 2-amino-1-(1-ethylindol-3-yl)-2-methylpropan-1-one;hydrochloride?
The InChIKey is YFWYTBXFBWCBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O.ClH/c1-4-16-9-11(13(17)14(2,3)15)10-7-5-6-8-12(10)16;/h5-9H,4,15H2,1-3H3;1H.
What are the key properties of 2-amino-1-(1-ethylindol-3-yl)-2-methylpropan-1-one;hydrochloride?
2-amino-1-(1-ethylindol-3-yl)-2-methylpropan-1-one;hydrochloride has a molecular weight of 266.77 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(1-ethylindol-3-yl)-2-methylpropan-1-one;hydrochloride is sourced from PubChem (CID 14069757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).