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

C17H21ClN2 — CID 83214721

IUPAC2-[(4-chlorophenyl)methyl]-N-ethyl-4,5,6,7-tetrahydroisoindol-4-amine
SMILESCCNC1CCCc2cn(Cc3ccc(Cl)cc3)cc21
InChIInChI=1S/C17H21ClN2/c1-2-19-17-5-3-4-14-11-20(12-16(14)17)10-13-6-8-15(18)9-7-13/h6-9,11-12,17,19H,2-5,10H2,1H3
InChIKeyOVOGEUNCHKWBFW-UHFFFAOYSA-N
MW288.82 g/mol
LogP4.18
Rot. Bonds4

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

2-[(4-chlorophenyl)methyl]-N-ethyl-4,5,6,7-tetrahydroisoindol-4-amine (PubChem CID 83214721) has the molecular formula C17H21ClN2 and a molecular weight of 288.82 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-N-ethyl-4,5,6,7-tetrahydroisoindol-4-amine.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-N-ethyl-4,5,6,7-tetrahydroisoindol-4-amine
PubChem CID83214721
Molecular FormulaC17H21ClN2
Molecular Weight288.82 g/mol
Exact Mass288.14
IUPAC Name2-[(4-chlorophenyl)methyl]-N-ethyl-4,5,6,7-tetrahydroisoindol-4-amine
SMILESCCNC1CCCc2cn(Cc3ccc(Cl)cc3)cc21
InChIInChI=1S/C17H21ClN2/c1-2-19-17-5-3-4-14-11-20(12-16(14)17)10-13-6-8-15(18)9-7-13/h6-9,11-12,17,19H,2-5,10H2,1H3
InChIKeyOVOGEUNCHKWBFW-UHFFFAOYSA-N
XLogP4.18
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-N-ethyl-4,5,6,7-tetrahydroisoindol-4-amine?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-N-ethyl-4,5,6,7-tetrahydroisoindol-4-amine (CID 83214721) is 2-[(4-chlorophenyl)methyl]-N-ethyl-4,5,6,7-tetrahydroisoindol-4-amine.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-N-ethyl-4,5,6,7-tetrahydroisoindol-4-amine?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-N-ethyl-4,5,6,7-tetrahydroisoindol-4-amine is CCNC1CCCc2cn(Cc3ccc(Cl)cc3)cc21.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-N-ethyl-4,5,6,7-tetrahydroisoindol-4-amine?
The InChIKey is OVOGEUNCHKWBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2/c1-2-19-17-5-3-4-14-11-20(12-16(14)17)10-13-6-8-15(18)9-7-13/h6-9,11-12,17,19H,2-5,10H2,1H3.
What are the key properties of 2-[(4-chlorophenyl)methyl]-N-ethyl-4,5,6,7-tetrahydroisoindol-4-amine?
2-[(4-chlorophenyl)methyl]-N-ethyl-4,5,6,7-tetrahydroisoindol-4-amine has a molecular weight of 288.82 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-N-ethyl-4,5,6,7-tetrahydroisoindol-4-amine is sourced from PubChem (CID 83214721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).