2-(1,3-dihydroisoindol-2-yl)-2-(2,3-dimethylphenyl)ethanamine

C18H22N2 — CID 62206935

IUPAC2-(1,3-dihydroisoindol-2-yl)-2-(2,3-dimethylphenyl)ethanamine
SMILESCc1cccc(C(CN)N2Cc3ccccc3C2)c1C
InChIInChI=1S/C18H22N2/c1-13-6-5-9-17(14(13)2)18(10-19)20-11-15-7-3-4-8-16(15)12-20/h3-9,18H,10-12,19H2,1-2H3
InChIKeySCLVHGDVTBTXFA-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.32
Rot. Bonds3

About 2-(1,3-dihydroisoindol-2-yl)-2-(2,3-dimethylphenyl)ethanamine

2-(1,3-dihydroisoindol-2-yl)-2-(2,3-dimethylphenyl)ethanamine (PubChem CID 62206935) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-(1,3-dihydroisoindol-2-yl)-2-(2,3-dimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(1,3-dihydroisoindol-2-yl)-2-(2,3-dimethylphenyl)ethanamine
PubChem CID62206935
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name2-(1,3-dihydroisoindol-2-yl)-2-(2,3-dimethylphenyl)ethanamine
SMILESCc1cccc(C(CN)N2Cc3ccccc3C2)c1C
InChIInChI=1S/C18H22N2/c1-13-6-5-9-17(14(13)2)18(10-19)20-11-15-7-3-4-8-16(15)12-20/h3-9,18H,10-12,19H2,1-2H3
InChIKeySCLVHGDVTBTXFA-UHFFFAOYSA-N
XLogP3.32
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 12552338
1-(10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)piperazine
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N,N'-Bis(1-phenylethyl)diaminoethane
CID 22679
N,N'-Dibenzyl-3-aminopyrrolidine
CID 14098325
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CID 44578367
(S)-N-butyl-N-(naphthalen-2-ylmethyl)pyrrolidin-3-amine
CID 44592195
(11R)-10-methyl-11-phenyl-1,10-diazatricyclo[9.2.1.03,8]tetradeca-3,5,7-triene
CID 162653369
2-(1-Methyl-2-phenylethyl)isoindoline
CID 6618797
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CID 11523077

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dihydroisoindol-2-yl)-2-(2,3-dimethylphenyl)ethanamine?
The IUPAC name of 2-(1,3-dihydroisoindol-2-yl)-2-(2,3-dimethylphenyl)ethanamine (CID 62206935) is 2-(1,3-dihydroisoindol-2-yl)-2-(2,3-dimethylphenyl)ethanamine.
What is the SMILES notation for 2-(1,3-dihydroisoindol-2-yl)-2-(2,3-dimethylphenyl)ethanamine?
The canonical SMILES for 2-(1,3-dihydroisoindol-2-yl)-2-(2,3-dimethylphenyl)ethanamine is Cc1cccc(C(CN)N2Cc3ccccc3C2)c1C.
What is the InChIKey of 2-(1,3-dihydroisoindol-2-yl)-2-(2,3-dimethylphenyl)ethanamine?
The InChIKey is SCLVHGDVTBTXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-13-6-5-9-17(14(13)2)18(10-19)20-11-15-7-3-4-8-16(15)12-20/h3-9,18H,10-12,19H2,1-2H3.
What are the key properties of 2-(1,3-dihydroisoindol-2-yl)-2-(2,3-dimethylphenyl)ethanamine?
2-(1,3-dihydroisoindol-2-yl)-2-(2,3-dimethylphenyl)ethanamine has a molecular weight of 266.39 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dihydroisoindol-2-yl)-2-(2,3-dimethylphenyl)ethanamine is sourced from PubChem (CID 62206935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).