2-[2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]-N-ethylethanamine

C19H24N2 — CID 115463396

IUPAC2-[2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]-N-ethylethanamine
SMILESCCNCCc1ccccc1CN1Cc2ccccc2C1
InChIInChI=1S/C19H24N2/c1-2-20-12-11-16-7-3-4-8-17(16)13-21-14-18-9-5-6-10-19(18)15-21/h3-10,20H,2,11-15H2,1H3
InChIKeyGDSNDKXEFLHUMY-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.35
Rot. Bonds6

About 2-[2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]-N-ethylethanamine

2-[2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]-N-ethylethanamine (PubChem CID 115463396) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 2-[2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]-N-ethylethanamine.

Molecular Properties

Compound Name2-[2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]-N-ethylethanamine
PubChem CID115463396
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC Name2-[2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]-N-ethylethanamine
SMILESCCNCCc1ccccc1CN1Cc2ccccc2C1
InChIInChI=1S/C19H24N2/c1-2-20-12-11-16-7-3-4-8-17(16)13-21-14-18-9-5-6-10-19(18)15-21/h3-10,20H,2,11-15H2,1H3
InChIKeyGDSNDKXEFLHUMY-UHFFFAOYSA-N
XLogP3.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(azocan-1-ylmethyl)phenyl]-N-ethylethanamine
CID 115463559
N-ethyl-2-[2-(1,4-oxazepan-4-ylmethyl)phenyl]ethanamine
CID 115464034
N-ethyl-2-[2-(imidazol-1-ylmethyl)phenyl]ethanamine
CID 113314786
N-ethyl-2-[2-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenyl]ethanamine
CID 115464062
N-ethyl-2-[2-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenyl]ethanamine
CID 114597126
N-ethyl-2-[2-[(2-methylimidazol-1-yl)methyl]phenyl]ethanamine
CID 115464316
2-[2-(ethylamino)ethyl]phenol;hydrochloride
CID 68825944
2-methyl-N-[2-[2-(pyrrolidin-1-ylmethyl)phenyl]ethyl]propan-1-amine
CID 115463424
methyl 2-[2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]acetate
CID 115462844
ethane;N-ethyl-2-(2-fluorophenyl)ethanamine
CID 155737119
2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)phenyl]-N-methylethanamine
CID 115463479
4-[[2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]morpholine
CID 13041711

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]-N-ethylethanamine?
The IUPAC name of 2-[2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]-N-ethylethanamine (CID 115463396) is 2-[2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]-N-ethylethanamine.
What is the SMILES notation for 2-[2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]-N-ethylethanamine?
The canonical SMILES for 2-[2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]-N-ethylethanamine is CCNCCc1ccccc1CN1Cc2ccccc2C1.
What is the InChIKey of 2-[2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]-N-ethylethanamine?
The InChIKey is GDSNDKXEFLHUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c1-2-20-12-11-16-7-3-4-8-17(16)13-21-14-18-9-5-6-10-19(18)15-21/h3-10,20H,2,11-15H2,1H3.
What are the key properties of 2-[2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]-N-ethylethanamine?
2-[2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]-N-ethylethanamine has a molecular weight of 280.42 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]-N-ethylethanamine is sourced from PubChem (CID 115463396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).