2-[[5-(4-bromophenyl)furan-2-yl]methylamino]-1-phenylethanol;hydrochloride

C19H19BrClNO2 — CID 17332249

IUPAC2-[[5-(4-bromophenyl)furan-2-yl]methylamino]-1-phenylethanol;hydrochloride
SMILESCl.OC(CNCc1ccc(-c2ccc(Br)cc2)o1)c1ccccc1
InChIInChI=1S/C19H18BrNO2.ClH/c20-16-8-6-15(7-9-16)19-11-10-17(23-19)12-21-13-18(22)14-4-2-1-3-5-14;/h1-11,18,21-22H,12-13H2;1H
InChIKeyMOWOIFCKEZXFET-UHFFFAOYSA-N
MW408.72 g/mol
LogP4.95
Rot. Bonds6

About 2-[[5-(4-bromophenyl)furan-2-yl]methylamino]-1-phenylethanol;hydrochloride

2-[[5-(4-bromophenyl)furan-2-yl]methylamino]-1-phenylethanol;hydrochloride (PubChem CID 17332249) has the molecular formula C19H19BrClNO2 and a molecular weight of 408.72 g/mol. Its IUPAC name is 2-[[5-(4-bromophenyl)furan-2-yl]methylamino]-1-phenylethanol;hydrochloride.

Molecular Properties

Compound Name2-[[5-(4-bromophenyl)furan-2-yl]methylamino]-1-phenylethanol;hydrochloride
PubChem CID17332249
Molecular FormulaC19H19BrClNO2
Molecular Weight408.72 g/mol
Exact Mass407.03
IUPAC Name2-[[5-(4-bromophenyl)furan-2-yl]methylamino]-1-phenylethanol;hydrochloride
SMILESCl.OC(CNCc1ccc(-c2ccc(Br)cc2)o1)c1ccccc1
InChIInChI=1S/C19H18BrNO2.ClH/c20-16-8-6-15(7-9-16)19-11-10-17(23-19)12-21-13-18(22)14-4-2-1-3-5-14;/h1-11,18,21-22H,12-13H2;1H
InChIKeyMOWOIFCKEZXFET-UHFFFAOYSA-N
XLogP4.95
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.72
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[5-(4-bromophenyl)furan-2-yl]methylamino]-1-phenylethanol;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

(5-(4-Bromophenyl)furan-2-yl)(morpholino)methanethione
CID 1227689
3-(5-bromo-2-hydroxyphenyl)-N-(furan-2-ylmethyl)-3-phenylpropanamide
CID 2947015
1-(4-bromophenyl)-N-(2-furylmethyl)cyclopentanecarboxamide
CID 2214985
Methyl 4-(5-(((2-hydroxy-2-phenylethyl)amino)methyl)furan-2-yl)benzoate hydrochloride
CID 6602747
1-{[5-(4-Bromophenyl)-2-furyl]carbonothioyl}piperidine
CID 988232
(1-Hydroxy-2-methylpropan-2-yl)-[(5-phenylfuran-2-yl)methyl]azanium
CID 6955837
1-[5-(4-bromophenyl)furan-2-yl]-N-(piperidin-4-ylmethyl)methanamine
CID 15943350
N-{[5-(4-bromo-3-methylphenyl)-2-furyl]methyl}-N-(4-piperidinylmethyl)amine
CID 16069836
N',N'-bis[[5-(4-bromophenyl)furan-2-yl]methyl]propane-1,3-diamine;2,2,2-trifluoroacetic acid
CID 49796794
[5-(4-bromophenyl)-2-furyl]-N-(2-furylmethyl)methanamine
CID 4723797
2-({[5-(2-Fluorophenyl)furan-2-yl]methyl}amino)butan-1-ol
CID 2996258
2-{[(5-Phenylfuran-2-yl)methyl]amino}butan-1-ol
CID 4723406

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-bromophenyl)furan-2-yl]methylamino]-1-phenylethanol;hydrochloride?
The IUPAC name of 2-[[5-(4-bromophenyl)furan-2-yl]methylamino]-1-phenylethanol;hydrochloride (CID 17332249) is 2-[[5-(4-bromophenyl)furan-2-yl]methylamino]-1-phenylethanol;hydrochloride.
What is the SMILES notation for 2-[[5-(4-bromophenyl)furan-2-yl]methylamino]-1-phenylethanol;hydrochloride?
The canonical SMILES for 2-[[5-(4-bromophenyl)furan-2-yl]methylamino]-1-phenylethanol;hydrochloride is Cl.OC(CNCc1ccc(-c2ccc(Br)cc2)o1)c1ccccc1.
What is the InChIKey of 2-[[5-(4-bromophenyl)furan-2-yl]methylamino]-1-phenylethanol;hydrochloride?
The InChIKey is MOWOIFCKEZXFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrNO2.ClH/c20-16-8-6-15(7-9-16)19-11-10-17(23-19)12-21-13-18(22)14-4-2-1-3-5-14;/h1-11,18,21-22H,12-13H2;1H.
What are the key properties of 2-[[5-(4-bromophenyl)furan-2-yl]methylamino]-1-phenylethanol;hydrochloride?
2-[[5-(4-bromophenyl)furan-2-yl]methylamino]-1-phenylethanol;hydrochloride has a molecular weight of 408.72 g/mol, XLogP of 4.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-bromophenyl)furan-2-yl]methylamino]-1-phenylethanol;hydrochloride is sourced from PubChem (CID 17332249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).