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

C14H20BrNO2 — CID 115719269

IUPAC1-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]pentan-2-ol
SMILESCCCC(O)CNC1CCOc2ccc(Br)cc21
InChIInChI=1S/C14H20BrNO2/c1-2-3-11(17)9-16-13-6-7-18-14-5-4-10(15)8-12(13)14/h4-5,8,11,13,16-17H,2-3,6-7,9H2,1H3
InChIKeyAVQDQPMCJWJBRP-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.02
Rot. Bonds5

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

1-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]pentan-2-ol (PubChem CID 115719269) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 1-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]pentan-2-ol.

Molecular Properties

Compound Name1-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]pentan-2-ol
PubChem CID115719269
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name1-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]pentan-2-ol
SMILESCCCC(O)CNC1CCOc2ccc(Br)cc21
InChIInChI=1S/C14H20BrNO2/c1-2-3-11(17)9-16-13-6-7-18-14-5-4-10(15)8-12(13)14/h4-5,8,11,13,16-17H,2-3,6-7,9H2,1H3
InChIKeyAVQDQPMCJWJBRP-UHFFFAOYSA-N
XLogP3.02
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

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]-1,1,1-trifluoropropan-2-ol
CID 103778612
2-[[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]methyl]-2-ethylbutan-1-ol
CID 103904595
N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine
CID 103787725
6-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 60855178
2-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-N-(2-methylpropyl)acetamide
CID 115920100
3-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]butan-1-ol
CID 81338825
1-(3,4-dihydro-2H-chromen-4-ylamino)butan-2-ol
CID 62365912
6-bromo-N-prop-2-enyl-3,4-dihydro-2H-chromen-4-amine
CID 43755416
6-bromo-N-[(E)-pent-3-enyl]-3,4-dihydro-2H-chromen-4-amine
CID 115890026
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 1-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]pentan-2-ol?
The IUPAC name of 1-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]pentan-2-ol (CID 115719269) is 1-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]pentan-2-ol.
What is the SMILES notation for 1-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]pentan-2-ol?
The canonical SMILES for 1-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]pentan-2-ol is CCCC(O)CNC1CCOc2ccc(Br)cc21.
What is the InChIKey of 1-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]pentan-2-ol?
The InChIKey is AVQDQPMCJWJBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-2-3-11(17)9-16-13-6-7-18-14-5-4-10(15)8-12(13)14/h4-5,8,11,13,16-17H,2-3,6-7,9H2,1H3.
What are the key properties of 1-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]pentan-2-ol?
1-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]pentan-2-ol has a molecular weight of 314.22 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]pentan-2-ol is sourced from PubChem (CID 115719269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).