N-[[5-(2-bromo-5-chloro-4-methylphenyl)furan-2-yl]methyl]ethanamine

C14H15BrClNO — CID 104724948

IUPACN-[[5-(2-bromo-5-chloro-4-methylphenyl)furan-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(-c2cc(Cl)c(C)cc2Br)o1
InChIInChI=1S/C14H15BrClNO/c1-3-17-8-10-4-5-14(18-10)11-7-13(16)9(2)6-12(11)15/h4-7,17H,3,8H2,1-2H3
InChIKeyNDWACRVZLLNTJL-UHFFFAOYSA-N
MW328.64 g/mol
LogP4.78
Rot. Bonds4

About N-[[5-(2-bromo-5-chloro-4-methylphenyl)furan-2-yl]methyl]ethanamine

N-[[5-(2-bromo-5-chloro-4-methylphenyl)furan-2-yl]methyl]ethanamine (PubChem CID 104724948) has the molecular formula C14H15BrClNO and a molecular weight of 328.64 g/mol. Its IUPAC name is N-[[5-(2-bromo-5-chloro-4-methylphenyl)furan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(2-bromo-5-chloro-4-methylphenyl)furan-2-yl]methyl]ethanamine
PubChem CID104724948
Molecular FormulaC14H15BrClNO
Molecular Weight328.64 g/mol
Exact Mass327.00
IUPAC NameN-[[5-(2-bromo-5-chloro-4-methylphenyl)furan-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(-c2cc(Cl)c(C)cc2Br)o1
InChIInChI=1S/C14H15BrClNO/c1-3-17-8-10-4-5-14(18-10)11-7-13(16)9(2)6-12(11)15/h4-7,17H,3,8H2,1-2H3
InChIKeyNDWACRVZLLNTJL-UHFFFAOYSA-N
XLogP4.78
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.64
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(2-bromo-5-chloro-4-methylphenyl)furan-2-yl]propan-2-ol
CID 104725052
N-[[5-(4-chloro-2-methylphenyl)furan-2-yl]methyl]ethanamine
CID 43624933
N-[[5-(2,5-dichloro-4-methoxyphenyl)furan-2-yl]methyl]ethanamine
CID 106889030
N-[[5-(2-chloro-4-fluorophenyl)furan-2-yl]methyl]ethanamine
CID 43624793
N-[[5-(2-chloro-4,5-dimethylphenyl)furan-2-yl]methyl]propan-1-amine
CID 106889016
N-[[5-(2,3,4,6-tetrachlorophenyl)furan-2-yl]methyl]ethanamine
CID 106889099
N-[[5-(2,3,4,5,6-pentamethylphenyl)furan-2-yl]methyl]ethanamine
CID 106888548
N-[[5-(5-bromo-4-fluoro-2-methylphenyl)furan-2-yl]methyl]propan-1-amine
CID 107593421
N-[[5-(2-methoxy-5-methylphenyl)furan-2-yl]methyl]ethanamine
CID 106887131
N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]butan-1-amine;hydrochloride
CID 17056161
N-(4-bromo-3-methylphenyl)-5-(ethylaminomethyl)furan-2-sulfonamide
CID 106058597
N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]hexan-1-amine
CID 17056191

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-bromo-5-chloro-4-methylphenyl)furan-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(2-bromo-5-chloro-4-methylphenyl)furan-2-yl]methyl]ethanamine (CID 104724948) is N-[[5-(2-bromo-5-chloro-4-methylphenyl)furan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(2-bromo-5-chloro-4-methylphenyl)furan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(2-bromo-5-chloro-4-methylphenyl)furan-2-yl]methyl]ethanamine is CCNCc1ccc(-c2cc(Cl)c(C)cc2Br)o1.
What is the InChIKey of N-[[5-(2-bromo-5-chloro-4-methylphenyl)furan-2-yl]methyl]ethanamine?
The InChIKey is NDWACRVZLLNTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClNO/c1-3-17-8-10-4-5-14(18-10)11-7-13(16)9(2)6-12(11)15/h4-7,17H,3,8H2,1-2H3.
What are the key properties of N-[[5-(2-bromo-5-chloro-4-methylphenyl)furan-2-yl]methyl]ethanamine?
N-[[5-(2-bromo-5-chloro-4-methylphenyl)furan-2-yl]methyl]ethanamine has a molecular weight of 328.64 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-bromo-5-chloro-4-methylphenyl)furan-2-yl]methyl]ethanamine is sourced from PubChem (CID 104724948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).