N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]-1-(2-methoxyphenyl)methanamine

C19H17BrClNO2 — CID 17208292

IUPACN-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]-1-(2-methoxyphenyl)methanamine
SMILESCOc1ccccc1CNCc1ccc(-c2ccc(Br)cc2Cl)o1
InChIInChI=1S/C19H17BrClNO2/c1-23-18-5-3-2-4-13(18)11-22-12-15-7-9-19(24-15)16-8-6-14(20)10-17(16)21/h2-10,22H,11-12H2,1H3
InChIKeyLNCOSPPPLGGSQB-UHFFFAOYSA-N
MW406.71 g/mol
LogP5.66
Rot. Bonds6

About N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]-1-(2-methoxyphenyl)methanamine

N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]-1-(2-methoxyphenyl)methanamine (PubChem CID 17208292) has the molecular formula C19H17BrClNO2 and a molecular weight of 406.71 g/mol. Its IUPAC name is N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]-1-(2-methoxyphenyl)methanamine.

Molecular Properties

Compound NameN-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]-1-(2-methoxyphenyl)methanamine
PubChem CID17208292
Molecular FormulaC19H17BrClNO2
Molecular Weight406.71 g/mol
Exact Mass405.01
IUPAC NameN-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]-1-(2-methoxyphenyl)methanamine
SMILESCOc1ccccc1CNCc1ccc(-c2ccc(Br)cc2Cl)o1
InChIInChI=1S/C19H17BrClNO2/c1-23-18-5-3-2-4-13(18)11-22-12-15-7-9-19(24-15)16-8-6-14(20)10-17(16)21/h2-10,22H,11-12H2,1H3
InChIKeyLNCOSPPPLGGSQB-UHFFFAOYSA-N
XLogP5.66
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.71
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-1-(2-methoxyphenyl)methanamine
CID 17208246
N-[[5-(2-chloro-4-iodophenyl)furan-2-yl]methyl]-1-(2-methoxyphenyl)methanamine
CID 17208318
N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-(2,3-dimethoxyphenyl)methanamine
CID 78895208
N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]butan-1-amine;hydrochloride
CID 17056161
1-[2-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methylamino]ethylamino]propan-2-ol;dihydrochloride
CID 17056230
1-(2-chlorophenyl)-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]methanamine;hydrochloride
CID 17332799
N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]hexan-1-amine
CID 17056191
N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]-4-phenylbutan-2-amine;hydrochloride
CID 17211415
N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2-chlorophenyl)methanamine;hydrochloride
CID 17289791
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 17207432
4-bromo-2-[[(2-methoxyphenyl)methylamino]methyl]phenol
CID 45029997
N-[[5-(2,5-dichloro-4-methoxyphenyl)furan-2-yl]methyl]ethanamine
CID 106889030

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]-1-(2-methoxyphenyl)methanamine?
The IUPAC name of N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]-1-(2-methoxyphenyl)methanamine (CID 17208292) is N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]-1-(2-methoxyphenyl)methanamine.
What is the SMILES notation for N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]-1-(2-methoxyphenyl)methanamine?
The canonical SMILES for N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]-1-(2-methoxyphenyl)methanamine is COc1ccccc1CNCc1ccc(-c2ccc(Br)cc2Cl)o1.
What is the InChIKey of N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]-1-(2-methoxyphenyl)methanamine?
The InChIKey is LNCOSPPPLGGSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrClNO2/c1-23-18-5-3-2-4-13(18)11-22-12-15-7-9-19(24-15)16-8-6-14(20)10-17(16)21/h2-10,22H,11-12H2,1H3.
What are the key properties of N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]-1-(2-methoxyphenyl)methanamine?
N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]-1-(2-methoxyphenyl)methanamine has a molecular weight of 406.71 g/mol, XLogP of 5.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]-1-(2-methoxyphenyl)methanamine is sourced from PubChem (CID 17208292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).