2-[1-(aminomethyl)-6-methoxy-1,3-dihydroisoindol-2-yl]-N,N-diethylethanamine

C16H27N3O — CID 82545451

IUPAC2-[1-(aminomethyl)-6-methoxy-1,3-dihydroisoindol-2-yl]-N,N-diethylethanamine
SMILESCCN(CC)CCN1Cc2ccc(OC)cc2C1CN
InChIInChI=1S/C16H27N3O/c1-4-18(5-2)8-9-19-12-13-6-7-14(20-3)10-15(13)16(19)11-17/h6-7,10,16H,4-5,8-9,11-12,17H2,1-3H3
InChIKeyPRFXUFVFCKNXOY-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.85
Rot. Bonds7

About 2-[1-(aminomethyl)-6-methoxy-1,3-dihydroisoindol-2-yl]-N,N-diethylethanamine

2-[1-(aminomethyl)-6-methoxy-1,3-dihydroisoindol-2-yl]-N,N-diethylethanamine (PubChem CID 82545451) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[1-(aminomethyl)-6-methoxy-1,3-dihydroisoindol-2-yl]-N,N-diethylethanamine.

Molecular Properties

Compound Name2-[1-(aminomethyl)-6-methoxy-1,3-dihydroisoindol-2-yl]-N,N-diethylethanamine
PubChem CID82545451
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-[1-(aminomethyl)-6-methoxy-1,3-dihydroisoindol-2-yl]-N,N-diethylethanamine
SMILESCCN(CC)CCN1Cc2ccc(OC)cc2C1CN
InChIInChI=1S/C16H27N3O/c1-4-18(5-2)8-9-19-12-13-6-7-14(20-3)10-15(13)16(19)11-17/h6-7,10,16H,4-5,8-9,11-12,17H2,1-3H3
InChIKeyPRFXUFVFCKNXOY-UHFFFAOYSA-N
XLogP1.85
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(aminomethyl)-6-methoxy-1,3-dihydroisoindol-2-yl]-N,N-dimethylbutan-1-amine
CID 82545450
[6-methoxy-2-[(2-methoxyphenyl)methyl]-1,3-dihydroisoindol-1-yl]methanamine
CID 82545430
(6-methoxy-2-propan-2-yl-1,3-dihydroisoindol-1-yl)methanamine
CID 82545491
[6-methoxy-2-(2-methoxyphenyl)-1,3-dihydroisoindol-1-yl]methanamine
CID 82545446
3-[1-(aminomethyl)-6-fluoro-1,3-dihydroisoindol-2-yl]-N,N-dimethylpropan-1-amine
CID 82545552
[6-[(dimethylamino)methyl]-2-(2-methoxyethyl)-1,3-dihydroisoindol-1-yl]methanamine
CID 82544624
(4-fluoro-2-hexyl-6-methoxy-1,3-dihydroisoindol-1-yl)methanamine
CID 82544889
3-(7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)-2-methylpropan-1-amine
CID 116995754
2-[3-(5-bromo-2-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-N,N-diethylethanamine
CID 22744897
3-[1-(aminomethyl)-5,7-difluoro-1,3-dihydroisoindol-2-yl]-N,N-diethylpropan-1-amine
CID 82545086
[6-methyl-2-(2-phenylethyl)-1,3-dihydroisoindol-1-yl]methanamine
CID 82545777
[2-(3-methoxypropyl)-1,3-dihydroisoindol-1-yl]methanamine
CID 82545280

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)-6-methoxy-1,3-dihydroisoindol-2-yl]-N,N-diethylethanamine?
The IUPAC name of 2-[1-(aminomethyl)-6-methoxy-1,3-dihydroisoindol-2-yl]-N,N-diethylethanamine (CID 82545451) is 2-[1-(aminomethyl)-6-methoxy-1,3-dihydroisoindol-2-yl]-N,N-diethylethanamine.
What is the SMILES notation for 2-[1-(aminomethyl)-6-methoxy-1,3-dihydroisoindol-2-yl]-N,N-diethylethanamine?
The canonical SMILES for 2-[1-(aminomethyl)-6-methoxy-1,3-dihydroisoindol-2-yl]-N,N-diethylethanamine is CCN(CC)CCN1Cc2ccc(OC)cc2C1CN.
What is the InChIKey of 2-[1-(aminomethyl)-6-methoxy-1,3-dihydroisoindol-2-yl]-N,N-diethylethanamine?
The InChIKey is PRFXUFVFCKNXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-18(5-2)8-9-19-12-13-6-7-14(20-3)10-15(13)16(19)11-17/h6-7,10,16H,4-5,8-9,11-12,17H2,1-3H3.
What are the key properties of 2-[1-(aminomethyl)-6-methoxy-1,3-dihydroisoindol-2-yl]-N,N-diethylethanamine?
2-[1-(aminomethyl)-6-methoxy-1,3-dihydroisoindol-2-yl]-N,N-diethylethanamine has a molecular weight of 277.41 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)-6-methoxy-1,3-dihydroisoindol-2-yl]-N,N-diethylethanamine is sourced from PubChem (CID 82545451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).