4-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-3,3-dimethylbutan-1-ol

C15H22BrNO2 — CID 103787509

IUPAC4-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-3,3-dimethylbutan-1-ol
SMILESCC(C)(CCO)CNC1CCOc2ccc(Br)cc21
InChIInChI=1S/C15H22BrNO2/c1-15(2,6-7-18)10-17-13-5-8-19-14-4-3-11(16)9-12(13)14/h3-4,9,13,17-18H,5-8,10H2,1-2H3
InChIKeyUQDKUXATZJWFHW-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.27
Rot. Bonds5

About 4-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-3,3-dimethylbutan-1-ol

4-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-3,3-dimethylbutan-1-ol (PubChem CID 103787509) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is 4-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name4-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-3,3-dimethylbutan-1-ol
PubChem CID103787509
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC Name4-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-3,3-dimethylbutan-1-ol
SMILESCC(C)(CCO)CNC1CCOc2ccc(Br)cc21
InChIInChI=1S/C15H22BrNO2/c1-15(2,6-7-18)10-17-13-5-8-19-14-4-3-11(16)9-12(13)14/h3-4,9,13,17-18H,5-8,10H2,1-2H3
InChIKeyUQDKUXATZJWFHW-UHFFFAOYSA-N
XLogP3.27
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-3,3-dimethylbutan-1-ol with MolForge

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Related Compounds

2-[[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]methyl]-2-ethylbutan-1-ol
CID 103904595
6-bromo-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 43512617
6-bromo-N-(2,2-difluoroethyl)-3,4-dihydro-2H-chromen-4-amine
CID 115405791
3-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]butan-1-ol
CID 81338825
2-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-2-ethylpropane-1,3-diol
CID 103935624
3-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-1,1,1-trifluoropropan-2-ol
CID 103778612
6-bromo-N-prop-2-enyl-3,4-dihydro-2H-chromen-4-amine
CID 43755416
6-bromo-N-tert-butylsulfanyl-3,4-dihydro-2H-chromen-4-amine
CID 166094073
6-bromo-N-[(E)-pent-3-enyl]-3,4-dihydro-2H-chromen-4-amine
CID 115890026
6-bromo-N-(2-cyclohexylethyl)-3,4-dihydro-2H-chromen-4-amine
CID 63450747
N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine
CID 103787725
3-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-N,N-dimethylpropanamide
CID 54935296

Frequently Asked Questions

What is the IUPAC name of 4-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-3,3-dimethylbutan-1-ol?
The IUPAC name of 4-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-3,3-dimethylbutan-1-ol (CID 103787509) is 4-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-3,3-dimethylbutan-1-ol.
What is the SMILES notation for 4-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-3,3-dimethylbutan-1-ol?
The canonical SMILES for 4-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-3,3-dimethylbutan-1-ol is CC(C)(CCO)CNC1CCOc2ccc(Br)cc21.
What is the InChIKey of 4-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-3,3-dimethylbutan-1-ol?
The InChIKey is UQDKUXATZJWFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-15(2,6-7-18)10-17-13-5-8-19-14-4-3-11(16)9-12(13)14/h3-4,9,13,17-18H,5-8,10H2,1-2H3.
What are the key properties of 4-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-3,3-dimethylbutan-1-ol?
4-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-3,3-dimethylbutan-1-ol has a molecular weight of 328.25 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 103787509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).