6-fluoro-N-(3-imidazol-1-ylpropyl)-3,4-dihydro-2H-chromen-4-amine

C15H18FN3O — CID 82461660

IUPAC6-fluoro-N-(3-imidazol-1-ylpropyl)-3,4-dihydro-2H-chromen-4-amine
SMILESFc1ccc2c(c1)C(NCCCn1ccnc1)CCO2
InChIInChI=1S/C15H18FN3O/c16-12-2-3-15-13(10-12)14(4-9-20-15)18-5-1-7-19-8-6-17-11-19/h2-3,6,8,10-11,14,18H,1,4-5,7,9H2
InChIKeyREVDKEDMSOHSEV-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.53
Rot. Bonds5

About 6-fluoro-N-(3-imidazol-1-ylpropyl)-3,4-dihydro-2H-chromen-4-amine

6-fluoro-N-(3-imidazol-1-ylpropyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 82461660) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 6-fluoro-N-(3-imidazol-1-ylpropyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6-fluoro-N-(3-imidazol-1-ylpropyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID82461660
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name6-fluoro-N-(3-imidazol-1-ylpropyl)-3,4-dihydro-2H-chromen-4-amine
SMILESFc1ccc2c(c1)C(NCCCn1ccnc1)CCO2
InChIInChI=1S/C15H18FN3O/c16-12-2-3-15-13(10-12)14(4-9-20-15)18-5-1-7-19-8-6-17-11-19/h2-3,6,8,10-11,14,18H,1,4-5,7,9H2
InChIKeyREVDKEDMSOHSEV-UHFFFAOYSA-N
XLogP2.53
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-imidazol-1-ylpropyl)-6-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 82461492
N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-imidazol-1-ylpropanamide
CID 166200780
6-fluoro-N-(3-morpholin-4-ylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 82461638
(4R)-6-fluoro-N-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 124699924
4-fluoro-N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine
CID 81300652
(4R)-6-fluoro-N-(pyrimidin-5-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 124696908
6-bromo-N-(3-pyrazol-1-ylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 115708570
1-N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79724117
6-fluoro-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 82461647
N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)propane-1-sulfonamide
CID 110751326
N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide;hydrochloride
CID 17065336
5-[[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)amino]methyl]thiophene-2-carbonitrile
CID 119145559

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(3-imidazol-1-ylpropyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6-fluoro-N-(3-imidazol-1-ylpropyl)-3,4-dihydro-2H-chromen-4-amine (CID 82461660) is 6-fluoro-N-(3-imidazol-1-ylpropyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6-fluoro-N-(3-imidazol-1-ylpropyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6-fluoro-N-(3-imidazol-1-ylpropyl)-3,4-dihydro-2H-chromen-4-amine is Fc1ccc2c(c1)C(NCCCn1ccnc1)CCO2.
What is the InChIKey of 6-fluoro-N-(3-imidazol-1-ylpropyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is REVDKEDMSOHSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c16-12-2-3-15-13(10-12)14(4-9-20-15)18-5-1-7-19-8-6-17-11-19/h2-3,6,8,10-11,14,18H,1,4-5,7,9H2.
What are the key properties of 6-fluoro-N-(3-imidazol-1-ylpropyl)-3,4-dihydro-2H-chromen-4-amine?
6-fluoro-N-(3-imidazol-1-ylpropyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 275.33 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(3-imidazol-1-ylpropyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 82461660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).