7-bromo-2-pentyl-3,4-dihydro-2H-chromen-4-amine

C14H20BrNO — CID 114709267

IUPAC7-bromo-2-pentyl-3,4-dihydro-2H-chromen-4-amine
SMILESCCCCCC1CC(N)c2ccc(Br)cc2O1
InChIInChI=1S/C14H20BrNO/c1-2-3-4-5-11-9-13(16)12-7-6-10(15)8-14(12)17-11/h6-8,11,13H,2-5,9,16H2,1H3
InChIKeyLPWIYNLNHGTDDX-UHFFFAOYSA-N
MW298.22 g/mol
LogP4.18
Rot. Bonds4

About 7-bromo-2-pentyl-3,4-dihydro-2H-chromen-4-amine

7-bromo-2-pentyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114709267) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 7-bromo-2-pentyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name7-bromo-2-pentyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID114709267
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name7-bromo-2-pentyl-3,4-dihydro-2H-chromen-4-amine
SMILESCCCCCC1CC(N)c2ccc(Br)cc2O1
InChIInChI=1S/C14H20BrNO/c1-2-3-4-5-11-9-13(16)12-7-6-10(15)8-14(12)17-11/h6-8,11,13H,2-5,9,16H2,1H3
InChIKeyLPWIYNLNHGTDDX-UHFFFAOYSA-N
XLogP4.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4R)-7-fluoro-2-heptyl-3,4-dihydro-2H-chromen-4-amine
CID 104947821
(4R)-2-hexyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944789
(4R)-6-bromo-2-(3-methylsulfanylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 103090694
(4R)-2-heptyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104946961
(4S)-7-bromo-2-pentan-3-yl-3,4-dihydro-2H-chromen-4-amine
CID 104945654
7-bromo-2-pentyl-2,3-dihydrochromen-4-one
CID 114673094
(4R)-7-bromo-2-(4-ethylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945365
(4S)-2-butyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104946892
(4S)-7-bromo-2-(2-ethylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945625
(4S)-7-bromo-2-methyl-2-pentyl-3,4-dihydrochromen-4-amine
CID 104945747
[(4S)-4-amino-6-bromo-3,4-dihydro-2H-chromen-2-yl]methanol
CID 104947171
(4R)-7-bromo-2-(4-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945572

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-pentyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 7-bromo-2-pentyl-3,4-dihydro-2H-chromen-4-amine (CID 114709267) is 7-bromo-2-pentyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 7-bromo-2-pentyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 7-bromo-2-pentyl-3,4-dihydro-2H-chromen-4-amine is CCCCCC1CC(N)c2ccc(Br)cc2O1.
What is the InChIKey of 7-bromo-2-pentyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is LPWIYNLNHGTDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-2-3-4-5-11-9-13(16)12-7-6-10(15)8-14(12)17-11/h6-8,11,13H,2-5,9,16H2,1H3.
What are the key properties of 7-bromo-2-pentyl-3,4-dihydro-2H-chromen-4-amine?
7-bromo-2-pentyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 298.22 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-pentyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114709267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).