(1-ethyl-4-methyl-2,3-dihydroindol-2-yl)methanamine

C12H18N2 — CID 117198344

IUPAC(1-ethyl-4-methyl-2,3-dihydroindol-2-yl)methanamine
SMILESCCN1c2cccc(C)c2CC1CN
InChIInChI=1S/C12H18N2/c1-3-14-10(8-13)7-11-9(2)5-4-6-12(11)14/h4-6,10H,3,7-8,13H2,1-2H3
InChIKeyYSJWQNMUNYAJEL-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.70
Rot. Bonds2

About (1-ethyl-4-methyl-2,3-dihydroindol-2-yl)methanamine

(1-ethyl-4-methyl-2,3-dihydroindol-2-yl)methanamine (PubChem CID 117198344) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is (1-ethyl-4-methyl-2,3-dihydroindol-2-yl)methanamine.

Molecular Properties

Compound Name(1-ethyl-4-methyl-2,3-dihydroindol-2-yl)methanamine
PubChem CID117198344
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name(1-ethyl-4-methyl-2,3-dihydroindol-2-yl)methanamine
SMILESCCN1c2cccc(C)c2CC1CN
InChIInChI=1S/C12H18N2/c1-3-14-10(8-13)7-11-9(2)5-4-6-12(11)14/h4-6,10H,3,7-8,13H2,1-2H3
InChIKeyYSJWQNMUNYAJEL-UHFFFAOYSA-N
XLogP1.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chloro-1-ethyl-2,3-dihydroindol-2-yl)methanamine
CID 117198789
(1-ethyl-4-methoxy-2,3-dihydroindol-2-yl)methanamine
CID 117199162
2-(1-ethyl-4-fluoro-2,3-dihydroindol-2-yl)ethanamine
CID 117198805
1-(4-methyl-1-propan-2-yl-2,3-dihydroindol-2-yl)propan-2-ol
CID 117198329
1-ethyl-2-(2-hydroxyethyl)-2,3-dihydroindol-4-ol
CID 117199118
1-(1-ethyl-4-hydroxy-2,3-dihydroindol-2-yl)propan-2-one
CID 117199127
2-(1-ethyl-4-fluoro-2,3-dihydroindol-2-yl)acetic acid
CID 117198847
3-(4-bromo-1-ethyl-2,3-dihydroindol-2-yl)propanoic acid
CID 117198876
3-(1-ethyl-4-fluoro-2,3-dihydroindol-2-yl)-N-methylpropan-1-amine
CID 117198830
3-(1,4-dimethyl-2,3-dihydroindol-2-yl)-2,2-dimethylpropanoic acid
CID 117198325
3-(1-ethyl-4-methoxy-2,3-dihydroindol-2-yl)-N-methylpropan-1-amine
CID 117199191
1-ethyl-4-methoxy-2-(piperazin-1-ylmethyl)-2,3-dihydroindole
CID 117199152

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-4-methyl-2,3-dihydroindol-2-yl)methanamine?
The IUPAC name of (1-ethyl-4-methyl-2,3-dihydroindol-2-yl)methanamine (CID 117198344) is (1-ethyl-4-methyl-2,3-dihydroindol-2-yl)methanamine.
What is the SMILES notation for (1-ethyl-4-methyl-2,3-dihydroindol-2-yl)methanamine?
The canonical SMILES for (1-ethyl-4-methyl-2,3-dihydroindol-2-yl)methanamine is CCN1c2cccc(C)c2CC1CN.
What is the InChIKey of (1-ethyl-4-methyl-2,3-dihydroindol-2-yl)methanamine?
The InChIKey is YSJWQNMUNYAJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-3-14-10(8-13)7-11-9(2)5-4-6-12(11)14/h4-6,10H,3,7-8,13H2,1-2H3.
What are the key properties of (1-ethyl-4-methyl-2,3-dihydroindol-2-yl)methanamine?
(1-ethyl-4-methyl-2,3-dihydroindol-2-yl)methanamine has a molecular weight of 190.29 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-4-methyl-2,3-dihydroindol-2-yl)methanamine is sourced from PubChem (CID 117198344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).