1-[(2-bromophenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol

C15H18BrNO2 — CID 111468482

IUPAC1-[(2-bromophenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol
SMILESCc1ccc(C(C)(O)CNCc2ccccc2Br)o1
InChIInChI=1S/C15H18BrNO2/c1-11-7-8-14(19-11)15(2,18)10-17-9-12-5-3-4-6-13(12)16/h3-8,17-18H,9-10H2,1-2H3
InChIKeyDTKIUVHXJVFTTB-UHFFFAOYSA-N
MW324.22 g/mol
LogP3.35
Rot. Bonds5

About 1-[(2-bromophenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol

1-[(2-bromophenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol (PubChem CID 111468482) has the molecular formula C15H18BrNO2 and a molecular weight of 324.22 g/mol. Its IUPAC name is 1-[(2-bromophenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-[(2-bromophenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol
PubChem CID111468482
Molecular FormulaC15H18BrNO2
Molecular Weight324.22 g/mol
Exact Mass323.05
IUPAC Name1-[(2-bromophenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol
SMILESCc1ccc(C(C)(O)CNCc2ccccc2Br)o1
InChIInChI=1S/C15H18BrNO2/c1-11-7-8-14(19-11)15(2,18)10-17-9-12-5-3-4-6-13(12)16/h3-8,17-18H,9-10H2,1-2H3
InChIKeyDTKIUVHXJVFTTB-UHFFFAOYSA-N
XLogP3.35
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-methoxyphenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol
CID 111468456
1-[(2-bromophenyl)methylamino]-2-methylpropan-2-ol
CID 61401916
1-[(4-fluorophenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol
CID 111468365
1-[(3,5-difluorophenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol
CID 109482142
2-(5-methylfuran-2-yl)-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-ol
CID 111468367
(2R)-2-(5-methylfuran-2-yl)-1-[(2-methyl-3-phenylimidazol-4-yl)methylamino]propan-2-ol
CID 97002401
1-[(4-methoxy-3,5-dimethylphenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol
CID 111468379
4-[(2-bromophenyl)methylamino]-2-methylbutan-2-ol
CID 79360093
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-(5-methylfuran-2-yl)propan-2-ol
CID 111468364
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methyl-2-phenylpropanamide
CID 71985002
1-[(4-but-3-ynoxyphenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol
CID 111468426
1-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol
CID 111468429

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromophenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol?
The IUPAC name of 1-[(2-bromophenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol (CID 111468482) is 1-[(2-bromophenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol.
What is the SMILES notation for 1-[(2-bromophenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol?
The canonical SMILES for 1-[(2-bromophenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol is Cc1ccc(C(C)(O)CNCc2ccccc2Br)o1.
What is the InChIKey of 1-[(2-bromophenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol?
The InChIKey is DTKIUVHXJVFTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO2/c1-11-7-8-14(19-11)15(2,18)10-17-9-12-5-3-4-6-13(12)16/h3-8,17-18H,9-10H2,1-2H3.
What are the key properties of 1-[(2-bromophenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol?
1-[(2-bromophenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol has a molecular weight of 324.22 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromophenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol is sourced from PubChem (CID 111468482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).