N-[(3-bromo-4-chlorophenyl)-(5-methylfuran-2-yl)methyl]ethanamine

C14H15BrClNO — CID 107998702

IUPACN-[(3-bromo-4-chlorophenyl)-(5-methylfuran-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)c(Br)c1)c1ccc(C)o1
InChIInChI=1S/C14H15BrClNO/c1-3-17-14(13-7-4-9(2)18-13)10-5-6-12(16)11(15)8-10/h4-8,14,17H,3H2,1-2H3
InChIKeyADLGCHDGZGZRDR-UHFFFAOYSA-N
MW328.64 g/mol
LogP4.70
Rot. Bonds4

About N-[(3-bromo-4-chlorophenyl)-(5-methylfuran-2-yl)methyl]ethanamine

N-[(3-bromo-4-chlorophenyl)-(5-methylfuran-2-yl)methyl]ethanamine (PubChem CID 107998702) has the molecular formula C14H15BrClNO and a molecular weight of 328.64 g/mol. Its IUPAC name is N-[(3-bromo-4-chlorophenyl)-(5-methylfuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-bromo-4-chlorophenyl)-(5-methylfuran-2-yl)methyl]ethanamine
PubChem CID107998702
Molecular FormulaC14H15BrClNO
Molecular Weight328.64 g/mol
Exact Mass327.00
IUPAC NameN-[(3-bromo-4-chlorophenyl)-(5-methylfuran-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)c(Br)c1)c1ccc(C)o1
InChIInChI=1S/C14H15BrClNO/c1-3-17-14(13-7-4-9(2)18-13)10-5-6-12(16)11(15)8-10/h4-8,14,17H,3H2,1-2H3
InChIKeyADLGCHDGZGZRDR-UHFFFAOYSA-N
XLogP4.70
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 ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,4-dichlorophenyl)-(5-methylfuran-2-yl)methyl]ethanamine
CID 43492781
N-[(3-bromo-4-chlorophenyl)-(3,4-dimethylphenyl)methyl]ethanamine
CID 115567471
N-[(5-methylfuran-2-yl)-(5-methylfuran-3-yl)methyl]ethanamine
CID 114820177
N-[(3-bromo-4-chlorophenyl)-(3-methylphenyl)methyl]ethanamine
CID 115567422
N-[(4-bromo-3-chlorophenyl)-(5-bromofuran-2-yl)methyl]ethanamine
CID 81291306
N-[(3-bromo-4-chlorophenyl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine
CID 107998668
N-[(3-bromo-4-chlorophenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 113337176
N-[(3-bromo-4-chlorophenyl)-[5-(methoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 107998930
N-[(4-fluoro-3,5-dimethylphenyl)-(5-methylfuran-2-yl)methyl]ethanamine
CID 65299395
N-[[4-(2-methylbutan-2-yl)phenyl]-(5-methylfuran-2-yl)methyl]ethanamine
CID 66260331
N-[(3-bromo-4-chlorophenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]ethanamine
CID 107998636
N-[(3-bromo-4-chlorophenyl)-(5-bromo-2-methoxyphenyl)methyl]ethanamine
CID 107998622

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-chlorophenyl)-(5-methylfuran-2-yl)methyl]ethanamine?
The IUPAC name of N-[(3-bromo-4-chlorophenyl)-(5-methylfuran-2-yl)methyl]ethanamine (CID 107998702) is N-[(3-bromo-4-chlorophenyl)-(5-methylfuran-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-bromo-4-chlorophenyl)-(5-methylfuran-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-bromo-4-chlorophenyl)-(5-methylfuran-2-yl)methyl]ethanamine is CCNC(c1ccc(Cl)c(Br)c1)c1ccc(C)o1.
What is the InChIKey of N-[(3-bromo-4-chlorophenyl)-(5-methylfuran-2-yl)methyl]ethanamine?
The InChIKey is ADLGCHDGZGZRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClNO/c1-3-17-14(13-7-4-9(2)18-13)10-5-6-12(16)11(15)8-10/h4-8,14,17H,3H2,1-2H3.
What are the key properties of N-[(3-bromo-4-chlorophenyl)-(5-methylfuran-2-yl)methyl]ethanamine?
N-[(3-bromo-4-chlorophenyl)-(5-methylfuran-2-yl)methyl]ethanamine has a molecular weight of 328.64 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-chlorophenyl)-(5-methylfuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 107998702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).