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

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Related Compounds

1-[(6-bromo-2H-chromen-3-yl)methylamino]propan-2-ol
CID 110922595
3-[(6-bromo-2H-chromen-3-yl)methylamino]-4-methylpentan-1-ol
CID 111469167
N-[(6-bromo-2H-chromen-3-yl)methyl]-3-propan-2-yloxypropan-1-amine
CID 119107757
2-[2-[(6-bromo-2H-chromen-3-yl)methylamino]ethoxy]ethanol
CID 119111866
N-[(6-bromo-2H-chromen-3-yl)methyl]-2-ethoxyethanamine
CID 119108103
N-[(6-bromo-2H-chromen-3-yl)methyl]-1-(4-methylpiperazin-1-yl)propan-2-amine
CID 119125045
1-(6-bromo-2H-chromen-3-yl)-N-[(3,4-dimethoxyphenyl)methyl]methanamine
CID 119107696
4-[(6-bromo-2H-chromen-3-yl)methylamino]-N,N-diethylbutanamide
CID 119108054
N-[2-[(6-bromo-2H-chromen-3-yl)methylamino]ethyl]cyclopropanecarboxamide
CID 119107768
1-(2H-chromen-3-ylmethylamino)propan-2-ol;hydrochloride
CID 115605418
N-[(6-bromo-2H-chromen-3-yl)methyl]-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 119108038
N-[(6-chloro-2H-chromen-3-yl)methyl]ethanamine
CID 115615997

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).