3-[(6-bromo-2H-chromen-3-yl)methylamino]-2-methylpropan-1-ol

C14H18BrNO2 — CID 110922646

IUPAC3-[(6-bromo-2H-chromen-3-yl)methylamino]-2-methylpropan-1-ol
SMILESCC(CO)CNCC1=Cc2cc(Br)ccc2OC1
InChIInChI=1S/C14H18BrNO2/c1-10(8-17)6-16-7-11-4-12-5-13(15)2-3-14(12)18-9-11/h2-5,10,16-17H,6-9H2,1H3
InChIKeyCBSUZJFUPQQQNW-UHFFFAOYSA-N
MW312.21 g/mol
LogP2.44
Rot. Bonds5

About 3-[(6-bromo-2H-chromen-3-yl)methylamino]-2-methylpropan-1-ol

3-[(6-bromo-2H-chromen-3-yl)methylamino]-2-methylpropan-1-ol (PubChem CID 110922646) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is 3-[(6-bromo-2H-chromen-3-yl)methylamino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[(6-bromo-2H-chromen-3-yl)methylamino]-2-methylpropan-1-ol
PubChem CID110922646
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Name3-[(6-bromo-2H-chromen-3-yl)methylamino]-2-methylpropan-1-ol
SMILESCC(CO)CNCC1=Cc2cc(Br)ccc2OC1
InChIInChI=1S/C14H18BrNO2/c1-10(8-17)6-16-7-11-4-12-5-13(15)2-3-14(12)18-9-11/h2-5,10,16-17H,6-9H2,1H3
InChIKeyCBSUZJFUPQQQNW-UHFFFAOYSA-N
XLogP2.44
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(6-bromo-2H-chromen-3-yl)methylamino]-2-methylpropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(6-bromo-2H-chromen-3-yl)methylamino]-2-methylpropan-1-ol?
The IUPAC name of 3-[(6-bromo-2H-chromen-3-yl)methylamino]-2-methylpropan-1-ol (CID 110922646) is 3-[(6-bromo-2H-chromen-3-yl)methylamino]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[(6-bromo-2H-chromen-3-yl)methylamino]-2-methylpropan-1-ol?
The canonical SMILES for 3-[(6-bromo-2H-chromen-3-yl)methylamino]-2-methylpropan-1-ol is CC(CO)CNCC1=Cc2cc(Br)ccc2OC1.
What is the InChIKey of 3-[(6-bromo-2H-chromen-3-yl)methylamino]-2-methylpropan-1-ol?
The InChIKey is CBSUZJFUPQQQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c1-10(8-17)6-16-7-11-4-12-5-13(15)2-3-14(12)18-9-11/h2-5,10,16-17H,6-9H2,1H3.
What are the key properties of 3-[(6-bromo-2H-chromen-3-yl)methylamino]-2-methylpropan-1-ol?
3-[(6-bromo-2H-chromen-3-yl)methylamino]-2-methylpropan-1-ol has a molecular weight of 312.21 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-bromo-2H-chromen-3-yl)methylamino]-2-methylpropan-1-ol is sourced from PubChem (CID 110922646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).