4-amino-2-(1,3-dihydroisoindol-2-ylmethyl)phenol

C15H16N2O — CID 55050237

IUPAC4-amino-2-(1,3-dihydroisoindol-2-ylmethyl)phenol
SMILESNc1ccc(O)c(CN2Cc3ccccc3C2)c1
InChIInChI=1S/C15H16N2O/c16-14-5-6-15(18)13(7-14)10-17-8-11-3-1-2-4-12(11)9-17/h1-7,18H,8-10,16H2
InChIKeyWUUBCPBPRNWFTG-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.49
Rot. Bonds2

About 4-amino-2-(1,3-dihydroisoindol-2-ylmethyl)phenol

4-amino-2-(1,3-dihydroisoindol-2-ylmethyl)phenol (PubChem CID 55050237) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 4-amino-2-(1,3-dihydroisoindol-2-ylmethyl)phenol.

Molecular Properties

Compound Name4-amino-2-(1,3-dihydroisoindol-2-ylmethyl)phenol
PubChem CID55050237
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name4-amino-2-(1,3-dihydroisoindol-2-ylmethyl)phenol
SMILESNc1ccc(O)c(CN2Cc3ccccc3C2)c1
InChIInChI=1S/C15H16N2O/c16-14-5-6-15(18)13(7-14)10-17-8-11-3-1-2-4-12(11)9-17/h1-7,18H,8-10,16H2
InChIKeyWUUBCPBPRNWFTG-UHFFFAOYSA-N
XLogP2.49
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4-amino-2-(azetidin-1-ylmethyl)phenol
CID 130546739
1-[3-(1,3-dihydroisoindol-2-ylmethyl)-4-hydroxyphenyl]ethanone
CID 62206782
1-[4-[(5-amino-2-hydroxyphenyl)methyl]piperazin-1-yl]ethanone
CID 43375641
4-amino-2-[(2,6-dimethylmorpholin-4-yl)methyl]phenol
CID 43375473
2-[(2-methylphenyl)methyl]-1,3-dihydroisoindol-5-amine
CID 43175797
4-amino-2-[[4-(2,2-dimethoxyethyl)piperazin-1-yl]methyl]phenol
CID 155403079
5-amino-2-[(4-methylpiperazin-1-yl)methyl]phenol
CID 117219401
1-[4-[(5-amino-2-hydroxyphenyl)methyl]-1,4-diazepan-1-yl]ethanone
CID 55004194
2-[(2-methoxyphenyl)methyl]-1,3-dihydroisoindol-5-amine
CID 43370115
2-[(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-bromophenol
CID 107739144
4-amino-2-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenol
CID 62988425
2-(1,3-dihydroisoindol-2-ylmethyl)-5-fluoroaniline
CID 64769584

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(1,3-dihydroisoindol-2-ylmethyl)phenol?
The IUPAC name of 4-amino-2-(1,3-dihydroisoindol-2-ylmethyl)phenol (CID 55050237) is 4-amino-2-(1,3-dihydroisoindol-2-ylmethyl)phenol.
What is the SMILES notation for 4-amino-2-(1,3-dihydroisoindol-2-ylmethyl)phenol?
The canonical SMILES for 4-amino-2-(1,3-dihydroisoindol-2-ylmethyl)phenol is Nc1ccc(O)c(CN2Cc3ccccc3C2)c1.
What is the InChIKey of 4-amino-2-(1,3-dihydroisoindol-2-ylmethyl)phenol?
The InChIKey is WUUBCPBPRNWFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c16-14-5-6-15(18)13(7-14)10-17-8-11-3-1-2-4-12(11)9-17/h1-7,18H,8-10,16H2.
What are the key properties of 4-amino-2-(1,3-dihydroisoindol-2-ylmethyl)phenol?
4-amino-2-(1,3-dihydroisoindol-2-ylmethyl)phenol has a molecular weight of 240.31 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(1,3-dihydroisoindol-2-ylmethyl)phenol is sourced from PubChem (CID 55050237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).