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

C15H16N2O — CID 43375648

IUPAC2-amino-4-(2,3-dihydroindol-1-ylmethyl)phenol
SMILESNc1cc(CN2CCc3ccccc32)ccc1O
InChIInChI=1S/C15H16N2O/c16-13-9-11(5-6-15(13)18)10-17-8-7-12-3-1-2-4-14(12)17/h1-6,9,18H,7-8,10,16H2
InChIKeyRWAUSRZWBKMBJU-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.54
Rot. Bonds2

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

2-amino-4-(2,3-dihydroindol-1-ylmethyl)phenol (PubChem CID 43375648) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-amino-4-(2,3-dihydroindol-1-ylmethyl)phenol.

Molecular Properties

Compound Name2-amino-4-(2,3-dihydroindol-1-ylmethyl)phenol
PubChem CID43375648
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name2-amino-4-(2,3-dihydroindol-1-ylmethyl)phenol
SMILESNc1cc(CN2CCc3ccccc32)ccc1O
InChIInChI=1S/C15H16N2O/c16-13-9-11(5-6-15(13)18)10-17-8-7-12-3-1-2-4-14(12)17/h1-6,9,18H,7-8,10,16H2
InChIKeyRWAUSRZWBKMBJU-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methanamine
CID 16793024
2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylmethyl)aniline
CID 28721399
1-[(4-bromophenyl)methyl]-2,3-dihydroindole
CID 22199835
2-(2-aminophenyl)-1-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]ethanone
CID 147623744
N-(2-aminophenyl)-3-(2,3-dihydroindol-1-ylmethyl)benzamide
CID 126638230
5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methoxyphenol
CID 82975067
[4-(2,3-dihydroindol-1-ylmethyl)phenyl]-trimethylsilane
CID 103438257
methyl 4-(2,3-dihydroindol-1-ylmethyl)benzoate
CID 6473082
2-amino-4-(azepan-1-ylmethyl)phenol;dihydrobromide
CID 47003390
[4-(2,3-dihydroindol-1-ylmethyl)phenyl]-piperidin-1-ylmethanone
CID 38000598
2-(2,3-dihydroindol-1-ylmethyl)quinolin-4-amine
CID 115485710
3-bromo-4-(2,3-dihydroindol-1-ylmethyl)phenol
CID 117219224

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2,3-dihydroindol-1-ylmethyl)phenol?
The IUPAC name of 2-amino-4-(2,3-dihydroindol-1-ylmethyl)phenol (CID 43375648) is 2-amino-4-(2,3-dihydroindol-1-ylmethyl)phenol.
What is the SMILES notation for 2-amino-4-(2,3-dihydroindol-1-ylmethyl)phenol?
The canonical SMILES for 2-amino-4-(2,3-dihydroindol-1-ylmethyl)phenol is Nc1cc(CN2CCc3ccccc32)ccc1O.
What is the InChIKey of 2-amino-4-(2,3-dihydroindol-1-ylmethyl)phenol?
The InChIKey is RWAUSRZWBKMBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c16-13-9-11(5-6-15(13)18)10-17-8-7-12-3-1-2-4-14(12)17/h1-6,9,18H,7-8,10,16H2.
What are the key properties of 2-amino-4-(2,3-dihydroindol-1-ylmethyl)phenol?
2-amino-4-(2,3-dihydroindol-1-ylmethyl)phenol has a molecular weight of 240.31 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2,3-dihydroindol-1-ylmethyl)phenol is sourced from PubChem (CID 43375648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).