N-ethyl-2-[(2-methoxyphenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine

C18H24N2O — CID 83211807

IUPACN-ethyl-2-[(2-methoxyphenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine
SMILESCCNC1CCCc2cn(Cc3ccccc3OC)cc21
InChIInChI=1S/C18H24N2O/c1-3-19-17-9-6-8-14-11-20(13-16(14)17)12-15-7-4-5-10-18(15)21-2/h4-5,7,10-11,13,17,19H,3,6,8-9,12H2,1-2H3
InChIKeyTXWMMASODBXFIT-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.53
Rot. Bonds5

About N-ethyl-2-[(2-methoxyphenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine

N-ethyl-2-[(2-methoxyphenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine (PubChem CID 83211807) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-ethyl-2-[(2-methoxyphenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine.

Molecular Properties

Compound NameN-ethyl-2-[(2-methoxyphenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine
PubChem CID83211807
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-ethyl-2-[(2-methoxyphenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine
SMILESCCNC1CCCc2cn(Cc3ccccc3OC)cc21
InChIInChI=1S/C18H24N2O/c1-3-19-17-9-6-8-14-11-20(13-16(14)17)12-15-7-4-5-10-18(15)21-2/h4-5,7,10-11,13,17,19H,3,6,8-9,12H2,1-2H3
InChIKeyTXWMMASODBXFIT-UHFFFAOYSA-N
XLogP3.53
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)methyl]-N-ethyl-4,5,6,7-tetrahydroisoindol-4-amine
CID 83214721
methyl 2-[4-(ethylamino)-4,5,6,7-tetrahydroisoindol-2-yl]acetate
CID 83214267
N-ethyl-2-[(1-methylpyrazol-3-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine
CID 83214574
2-[(2-methoxy-3-pyridinyl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine
CID 83214487
N-ethyl-2-(3-methoxy-3-methylbutyl)-4,5,6,7-tetrahydroisoindol-4-amine
CID 103035014
2-[(3-bromophenyl)methyl]-N-ethyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
CID 83210431
2-[(5-bromothiophen-2-yl)methyl]-N-ethyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
CID 83212334
N-ethyl-2-(2-pyrrolidin-1-ylethyl)-4,5,6,7-tetrahydroisoindol-4-amine
CID 83214039
2-(3,3-dimethylbutyl)-N-ethyl-4,5,6,7-tetrahydroisoindol-4-amine
CID 83214042
N-ethyl-2-[2-(trifluoromethoxy)ethyl]-4,5,6,7-tetrahydroisoindol-4-amine
CID 83216620
1-[4-(ethylamino)-4,5,6,7-tetrahydroisoindol-2-yl]-3-methylbutan-2-ol
CID 114249913
2-[2-[4-(ethylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]ethoxy]ethanol
CID 83212664

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(2-methoxyphenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine?
The IUPAC name of N-ethyl-2-[(2-methoxyphenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine (CID 83211807) is N-ethyl-2-[(2-methoxyphenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine.
What is the SMILES notation for N-ethyl-2-[(2-methoxyphenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine?
The canonical SMILES for N-ethyl-2-[(2-methoxyphenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine is CCNC1CCCc2cn(Cc3ccccc3OC)cc21.
What is the InChIKey of N-ethyl-2-[(2-methoxyphenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine?
The InChIKey is TXWMMASODBXFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-3-19-17-9-6-8-14-11-20(13-16(14)17)12-15-7-4-5-10-18(15)21-2/h4-5,7,10-11,13,17,19H,3,6,8-9,12H2,1-2H3.
What are the key properties of N-ethyl-2-[(2-methoxyphenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine?
N-ethyl-2-[(2-methoxyphenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine has a molecular weight of 284.40 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(2-methoxyphenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine is sourced from PubChem (CID 83211807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).