2-[1-(2,3-dihydro-1H-inden-1-ylamino)ethyl]phenol

C17H19NO — CID 43204004

IUPAC2-[1-(2,3-dihydro-1H-inden-1-ylamino)ethyl]phenol
SMILESCC(NC1CCc2ccccc21)c1ccccc1O
InChIInChI=1S/C17H19NO/c1-12(14-7-4-5-9-17(14)19)18-16-11-10-13-6-2-3-8-15(13)16/h2-9,12,16,18-19H,10-11H2,1H3
InChIKeyJAMZRKGHGBRESE-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.73
Rot. Bonds3

About 2-[1-(2,3-dihydro-1H-inden-1-ylamino)ethyl]phenol

2-[1-(2,3-dihydro-1H-inden-1-ylamino)ethyl]phenol (PubChem CID 43204004) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-[1-(2,3-dihydro-1H-inden-1-ylamino)ethyl]phenol.

Molecular Properties

Compound Name2-[1-(2,3-dihydro-1H-inden-1-ylamino)ethyl]phenol
PubChem CID43204004
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name2-[1-(2,3-dihydro-1H-inden-1-ylamino)ethyl]phenol
SMILESCC(NC1CCc2ccccc21)c1ccccc1O
InChIInChI=1S/C17H19NO/c1-12(14-7-4-5-9-17(14)19)18-16-11-10-13-6-2-3-8-15(13)16/h2-9,12,16,18-19H,10-11H2,1H3
InChIKeyJAMZRKGHGBRESE-UHFFFAOYSA-N
XLogP3.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-1-(2-chlorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 81377462
(2R)-2-(2,3-dihydro-1H-inden-1-ylamino)propan-1-ol
CID 114986954
N-[(1S)-1-(2-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81374280
3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylbutan-1-ol
CID 115722752
N-[(1R)-1-pyridin-4-ylethyl]-2,3-dihydro-1H-inden-1-amine
CID 81405488
2-(2,3-dihydro-1H-inden-1-ylamino)propane-1,3-diol
CID 65315582
N-[1-(3,4-difluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 43204034
3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylbutan-2-ol
CID 65333179
N-[1-(3-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 43768440
N-[1-(5-bromothiophen-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 54897773
N-(1-methylsulfanylpropan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 115721717
methyl 2-(2,3-dihydro-1H-inden-1-ylamino)propanoate
CID 60780698

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3-dihydro-1H-inden-1-ylamino)ethyl]phenol?
The IUPAC name of 2-[1-(2,3-dihydro-1H-inden-1-ylamino)ethyl]phenol (CID 43204004) is 2-[1-(2,3-dihydro-1H-inden-1-ylamino)ethyl]phenol.
What is the SMILES notation for 2-[1-(2,3-dihydro-1H-inden-1-ylamino)ethyl]phenol?
The canonical SMILES for 2-[1-(2,3-dihydro-1H-inden-1-ylamino)ethyl]phenol is CC(NC1CCc2ccccc21)c1ccccc1O.
What is the InChIKey of 2-[1-(2,3-dihydro-1H-inden-1-ylamino)ethyl]phenol?
The InChIKey is JAMZRKGHGBRESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-12(14-7-4-5-9-17(14)19)18-16-11-10-13-6-2-3-8-15(13)16/h2-9,12,16,18-19H,10-11H2,1H3.
What are the key properties of 2-[1-(2,3-dihydro-1H-inden-1-ylamino)ethyl]phenol?
2-[1-(2,3-dihydro-1H-inden-1-ylamino)ethyl]phenol has a molecular weight of 253.35 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,3-dihydro-1H-inden-1-ylamino)ethyl]phenol is sourced from PubChem (CID 43204004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).