N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-(3-methoxyphenyl)methanamine;hydrochloride

C19H19BrClNO2 — CID 71611175

IUPACN-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-(3-methoxyphenyl)methanamine;hydrochloride
SMILESCOc1cccc(CNCc2ccc(-c3ccc(Br)cc3)o2)c1.Cl
InChIInChI=1S/C19H18BrNO2.ClH/c1-22-17-4-2-3-14(11-17)12-21-13-18-9-10-19(23-18)15-5-7-16(20)8-6-15;/h2-11,21H,12-13H2,1H3;1H
InChIKeyNJFGIEOKDJJVRX-UHFFFAOYSA-N
MW408.72 g/mol
LogP5.43
Rot. Bonds6

About N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-(3-methoxyphenyl)methanamine;hydrochloride

N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-(3-methoxyphenyl)methanamine;hydrochloride (PubChem CID 71611175) has the molecular formula C19H19BrClNO2 and a molecular weight of 408.72 g/mol. Its IUPAC name is N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-(3-methoxyphenyl)methanamine;hydrochloride.

Molecular Properties

Compound NameN-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-(3-methoxyphenyl)methanamine;hydrochloride
PubChem CID71611175
Molecular FormulaC19H19BrClNO2
Molecular Weight408.72 g/mol
Exact Mass407.03
IUPAC NameN-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-(3-methoxyphenyl)methanamine;hydrochloride
SMILESCOc1cccc(CNCc2ccc(-c3ccc(Br)cc3)o2)c1.Cl
InChIInChI=1S/C19H18BrNO2.ClH/c1-22-17-4-2-3-14(11-17)12-21-13-18-9-10-19(23-18)15-5-7-16(20)8-6-15;/h2-11,21H,12-13H2,1H3;1H
InChIKeyNJFGIEOKDJJVRX-UHFFFAOYSA-N
XLogP5.43
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.72
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(3-methoxyphenyl)furan-2-yl]methyl]ethanamine
CID 106886886
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-(4-fluorophenyl)methanamine
CID 4723780
5-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]furan-2-amine;hydrochloride
CID 174664684
2-(4-bromophenoxy)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 60690670
methyl 4-[5-[[(4-methoxyphenyl)methylamino]methyl]furan-2-yl]benzoate;hydrochloride
CID 17332933
1-(3-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine;hydrochloride
CID 126965504
N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-1-(4-methoxyphenyl)methanamine;hydrochloride
CID 17333127
N-[[5-(4-bromophenyl)furan-2-yl]methyl]butan-1-amine
CID 4723752
2-(4-methoxyphenyl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine;hydrochloride
CID 17331908
N-[[5-(4-bromophenyl)furan-2-yl]methyl]pentan-1-amine
CID 4723764
N-[(3,5-dimethylphenyl)methyl]-1-(3-methoxyphenyl)methanamine
CID 54940038
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 55387081

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-(3-methoxyphenyl)methanamine;hydrochloride?
The IUPAC name of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-(3-methoxyphenyl)methanamine;hydrochloride (CID 71611175) is N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-(3-methoxyphenyl)methanamine;hydrochloride.
What is the SMILES notation for N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-(3-methoxyphenyl)methanamine;hydrochloride?
The canonical SMILES for N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-(3-methoxyphenyl)methanamine;hydrochloride is COc1cccc(CNCc2ccc(-c3ccc(Br)cc3)o2)c1.Cl.
What is the InChIKey of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-(3-methoxyphenyl)methanamine;hydrochloride?
The InChIKey is NJFGIEOKDJJVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrNO2.ClH/c1-22-17-4-2-3-14(11-17)12-21-13-18-9-10-19(23-18)15-5-7-16(20)8-6-15;/h2-11,21H,12-13H2,1H3;1H.
What are the key properties of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-(3-methoxyphenyl)methanamine;hydrochloride?
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-(3-methoxyphenyl)methanamine;hydrochloride has a molecular weight of 408.72 g/mol, XLogP of 5.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-(3-methoxyphenyl)methanamine;hydrochloride is sourced from PubChem (CID 71611175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).