2-[1-(3,4-dihydro-2H-chromen-4-ylamino)propyl]phenol

C18H21NO2 — CID 43723838

IUPAC2-[1-(3,4-dihydro-2H-chromen-4-ylamino)propyl]phenol
SMILESCCC(NC1CCOc2ccccc21)c1ccccc1O
InChIInChI=1S/C18H21NO2/c1-2-15(13-7-3-5-9-17(13)20)19-16-11-12-21-18-10-6-4-8-14(16)18/h3-10,15-16,19-20H,2,11-12H2,1H3
InChIKeyMJGASHKWFQUKEQ-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.96
Rot. Bonds4

About 2-[1-(3,4-dihydro-2H-chromen-4-ylamino)propyl]phenol

2-[1-(3,4-dihydro-2H-chromen-4-ylamino)propyl]phenol (PubChem CID 43723838) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[1-(3,4-dihydro-2H-chromen-4-ylamino)propyl]phenol.

Molecular Properties

Compound Name2-[1-(3,4-dihydro-2H-chromen-4-ylamino)propyl]phenol
PubChem CID43723838
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2-[1-(3,4-dihydro-2H-chromen-4-ylamino)propyl]phenol
SMILESCCC(NC1CCOc2ccccc21)c1ccccc1O
InChIInChI=1S/C18H21NO2/c1-2-15(13-7-3-5-9-17(13)20)19-16-11-12-21-18-10-6-4-8-14(16)18/h3-10,15-16,19-20H,2,11-12H2,1H3
InChIKeyMJGASHKWFQUKEQ-UHFFFAOYSA-N
XLogP3.96
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 63842967
(2R)-2-(3,4-dihydro-2H-chromen-4-ylamino)-2-phenylethanol
CID 103788750
2-[1-(cyclopropylamino)propyl]phenol
CID 16772826
1-(3,4-dihydro-2H-chromen-4-ylamino)butan-2-ol
CID 62365912
2-N-(3,4-dihydro-2H-chromen-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82939350
3-(3,4-dihydro-2H-chromen-4-ylamino)-3-phenylpropanenitrile
CID 62779889
3-(3,4-dihydro-2H-chromen-4-ylamino)-N'-hydroxybutanimidamide
CID 77028469
2-[1-(oxan-3-ylamino)propyl]phenol
CID 63359773
2-(3,4-dihydro-2H-chromen-4-ylamino)-N-pentan-2-ylpropanamide
CID 60722358
N-(4-ethylsulfanylbutan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 115725491
ethane;N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 143399161
1-N-(3,4-dihydro-2H-chromen-4-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 54913047

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dihydro-2H-chromen-4-ylamino)propyl]phenol?
The IUPAC name of 2-[1-(3,4-dihydro-2H-chromen-4-ylamino)propyl]phenol (CID 43723838) is 2-[1-(3,4-dihydro-2H-chromen-4-ylamino)propyl]phenol.
What is the SMILES notation for 2-[1-(3,4-dihydro-2H-chromen-4-ylamino)propyl]phenol?
The canonical SMILES for 2-[1-(3,4-dihydro-2H-chromen-4-ylamino)propyl]phenol is CCC(NC1CCOc2ccccc21)c1ccccc1O.
What is the InChIKey of 2-[1-(3,4-dihydro-2H-chromen-4-ylamino)propyl]phenol?
The InChIKey is MJGASHKWFQUKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-2-15(13-7-3-5-9-17(13)20)19-16-11-12-21-18-10-6-4-8-14(16)18/h3-10,15-16,19-20H,2,11-12H2,1H3.
What are the key properties of 2-[1-(3,4-dihydro-2H-chromen-4-ylamino)propyl]phenol?
2-[1-(3,4-dihydro-2H-chromen-4-ylamino)propyl]phenol has a molecular weight of 283.37 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-dihydro-2H-chromen-4-ylamino)propyl]phenol is sourced from PubChem (CID 43723838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).