2-(naphthalen-1-ylmethyl)-1,3-dihydroisoindol-4-amine

C19H18N2 — CID 43175805

IUPAC2-(naphthalen-1-ylmethyl)-1,3-dihydroisoindol-4-amine
SMILESNc1cccc2c1CN(Cc1cccc3ccccc13)C2
InChIInChI=1S/C19H18N2/c20-19-10-4-8-16-12-21(13-18(16)19)11-15-7-3-6-14-5-1-2-9-17(14)15/h1-10H,11-13,20H2
InChIKeyABFCPDRLKUVLMW-UHFFFAOYSA-N
MW274.37 g/mol
LogP3.94
Rot. Bonds2

About 2-(naphthalen-1-ylmethyl)-1,3-dihydroisoindol-4-amine

2-(naphthalen-1-ylmethyl)-1,3-dihydroisoindol-4-amine (PubChem CID 43175805) has the molecular formula C19H18N2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-(naphthalen-1-ylmethyl)-1,3-dihydroisoindol-4-amine.

Molecular Properties

Compound Name2-(naphthalen-1-ylmethyl)-1,3-dihydroisoindol-4-amine
PubChem CID43175805
Molecular FormulaC19H18N2
Molecular Weight274.37 g/mol
Exact Mass274.15
IUPAC Name2-(naphthalen-1-ylmethyl)-1,3-dihydroisoindol-4-amine
SMILESNc1cccc2c1CN(Cc1cccc3ccccc13)C2
InChIInChI=1S/C19H18N2/c20-19-10-4-8-16-12-21(13-18(16)19)11-15-7-3-6-14-5-1-2-9-17(14)15/h1-10H,11-13,20H2
InChIKeyABFCPDRLKUVLMW-UHFFFAOYSA-N
XLogP3.94
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1-benzothiophen-3-ylmethyl)-1,3-dihydroisoindol-4-amine
CID 63738985
1,4-bis(naphthalen-1-ylmethyl)piperazine
CID 4846171
2-[(4-methyl-3-pyridinyl)methyl]-1,3-dihydroisoindol-4-amine
CID 114957269
2-[(3-fluorophenyl)methyl]-1,3-dihydroisoindol-4-amine
CID 43370224
2-[(4-tert-butylphenyl)methyl]-1,3-dihydroisoindol-4-amine
CID 43370254
4-(naphthalen-1-ylmethyl)morpholine-2,6-dione
CID 63788360
2-(1-benzofuran-3-ylmethyl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522440
2-[(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)methyl]benzonitrile
CID 114523963
2,4-dichloro-6-(naphthalen-1-ylmethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine
CID 166056835
2-[(3-methoxyphenyl)methyl]-1,3-dihydroisoindol-4-amine
CID 43370268
2-heptyl-1,3-dihydroisoindol-4-amine
CID 43370261
2-nonyl-1,3-dihydroisoindol-4-amine
CID 43370262

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-1-ylmethyl)-1,3-dihydroisoindol-4-amine?
The IUPAC name of 2-(naphthalen-1-ylmethyl)-1,3-dihydroisoindol-4-amine (CID 43175805) is 2-(naphthalen-1-ylmethyl)-1,3-dihydroisoindol-4-amine.
What is the SMILES notation for 2-(naphthalen-1-ylmethyl)-1,3-dihydroisoindol-4-amine?
The canonical SMILES for 2-(naphthalen-1-ylmethyl)-1,3-dihydroisoindol-4-amine is Nc1cccc2c1CN(Cc1cccc3ccccc13)C2.
What is the InChIKey of 2-(naphthalen-1-ylmethyl)-1,3-dihydroisoindol-4-amine?
The InChIKey is ABFCPDRLKUVLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2/c20-19-10-4-8-16-12-21(13-18(16)19)11-15-7-3-6-14-5-1-2-9-17(14)15/h1-10H,11-13,20H2.
What are the key properties of 2-(naphthalen-1-ylmethyl)-1,3-dihydroisoindol-4-amine?
2-(naphthalen-1-ylmethyl)-1,3-dihydroisoindol-4-amine has a molecular weight of 274.37 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-1-ylmethyl)-1,3-dihydroisoindol-4-amine is sourced from PubChem (CID 43175805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).