2-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methylamino]-2-methylpropan-1-ol;hydrochloride

C16H21BrClNO2 — CID 17056402

IUPAC2-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methylamino]-2-methylpropan-1-ol;hydrochloride
SMILESCc1cc(Br)ccc1-c1ccc(CNC(C)(C)CO)o1.Cl
InChIInChI=1S/C16H20BrNO2.ClH/c1-11-8-12(17)4-6-14(11)15-7-5-13(20-15)9-18-16(2,3)10-19;/h4-8,18-19H,9-10H2,1-3H3;1H
InChIKeyRWEPHIZLGSYNAV-UHFFFAOYSA-N
MW374.71 g/mol
LogP4.30
Rot. Bonds5

About 2-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methylamino]-2-methylpropan-1-ol;hydrochloride

2-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methylamino]-2-methylpropan-1-ol;hydrochloride (PubChem CID 17056402) has the molecular formula C16H21BrClNO2 and a molecular weight of 374.71 g/mol. Its IUPAC name is 2-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methylamino]-2-methylpropan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methylamino]-2-methylpropan-1-ol;hydrochloride
PubChem CID17056402
Molecular FormulaC16H21BrClNO2
Molecular Weight374.71 g/mol
Exact Mass373.04
IUPAC Name2-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methylamino]-2-methylpropan-1-ol;hydrochloride
SMILESCc1cc(Br)ccc1-c1ccc(CNC(C)(C)CO)o1.Cl
InChIInChI=1S/C16H20BrNO2.ClH/c1-11-8-12(17)4-6-14(11)15-7-5-13(20-15)9-18-16(2,3)10-19;/h4-8,18-19H,9-10H2,1-3H3;1H
InChIKeyRWEPHIZLGSYNAV-UHFFFAOYSA-N
XLogP4.30
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.71
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]-N-methylpropane-1,3-diamine
CID 17056478
N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]cyclohexanamine;hydrochloride
CID 17056388
N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]-2-methoxyethanamine
CID 17056480
1-[5-(4-bromo-2-methylphenyl)furan-2-yl]propan-2-one
CID 81288975
N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]-1-phenylethanamine
CID 17056405
(1R)-N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]-1-phenylethanamine
CID 29187702
N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]-1-propyltetrazol-5-amine
CID 17057739
3-[5-(4-bromo-2-methylphenyl)furan-2-yl]propanehydrazide
CID 91686849
N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 6471769
3-[5-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]furan-2-yl]benzoic acid;hydrochloride
CID 17212789
[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl-[(2R)-2-hydroxypropyl]azanium
CID 7450436
1-(1,3-benzodioxol-5-yl)-N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]methanamine
CID 17056439

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methylamino]-2-methylpropan-1-ol;hydrochloride?
The IUPAC name of 2-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methylamino]-2-methylpropan-1-ol;hydrochloride (CID 17056402) is 2-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methylamino]-2-methylpropan-1-ol;hydrochloride.
What is the SMILES notation for 2-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methylamino]-2-methylpropan-1-ol;hydrochloride?
The canonical SMILES for 2-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methylamino]-2-methylpropan-1-ol;hydrochloride is Cc1cc(Br)ccc1-c1ccc(CNC(C)(C)CO)o1.Cl.
What is the InChIKey of 2-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methylamino]-2-methylpropan-1-ol;hydrochloride?
The InChIKey is RWEPHIZLGSYNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNO2.ClH/c1-11-8-12(17)4-6-14(11)15-7-5-13(20-15)9-18-16(2,3)10-19;/h4-8,18-19H,9-10H2,1-3H3;1H.
What are the key properties of 2-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methylamino]-2-methylpropan-1-ol;hydrochloride?
2-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methylamino]-2-methylpropan-1-ol;hydrochloride has a molecular weight of 374.71 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methylamino]-2-methylpropan-1-ol;hydrochloride is sourced from PubChem (CID 17056402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).