N-[(5-bromofuran-2-yl)methyl]-1-(4-chlorophenyl)propan-1-amine

C14H15BrClNO — CID 43688626

IUPACN-[(5-bromofuran-2-yl)methyl]-1-(4-chlorophenyl)propan-1-amine
SMILESCCC(NCc1ccc(Br)o1)c1ccc(Cl)cc1
InChIInChI=1S/C14H15BrClNO/c1-2-13(10-3-5-11(16)6-4-10)17-9-12-7-8-14(15)18-12/h3-8,13,17H,2,9H2,1H3
InChIKeyWMPSVAOIFLHZKN-UHFFFAOYSA-N
MW328.64 g/mol
LogP4.94
Rot. Bonds5

About N-[(5-bromofuran-2-yl)methyl]-1-(4-chlorophenyl)propan-1-amine

N-[(5-bromofuran-2-yl)methyl]-1-(4-chlorophenyl)propan-1-amine (PubChem CID 43688626) has the molecular formula C14H15BrClNO and a molecular weight of 328.64 g/mol. Its IUPAC name is N-[(5-bromofuran-2-yl)methyl]-1-(4-chlorophenyl)propan-1-amine.

Molecular Properties

Compound NameN-[(5-bromofuran-2-yl)methyl]-1-(4-chlorophenyl)propan-1-amine
PubChem CID43688626
Molecular FormulaC14H15BrClNO
Molecular Weight328.64 g/mol
Exact Mass327.00
IUPAC NameN-[(5-bromofuran-2-yl)methyl]-1-(4-chlorophenyl)propan-1-amine
SMILESCCC(NCc1ccc(Br)o1)c1ccc(Cl)cc1
InChIInChI=1S/C14H15BrClNO/c1-2-13(10-3-5-11(16)6-4-10)17-9-12-7-8-14(15)18-12/h3-8,13,17H,2,9H2,1H3
InChIKeyWMPSVAOIFLHZKN-UHFFFAOYSA-N
XLogP4.94
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.64
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-N-[(5-chlorofuran-2-yl)methyl]propan-1-amine
CID 60664059
1-(4-chlorophenyl)-N-[(5-nitrofuran-2-yl)methyl]propan-1-amine
CID 43782164
(1R)-N-[(5-bromofuran-2-yl)methyl]-1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-amine
CID 99778916
1-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]propan-1-amine
CID 43081616
N-[(5-bromofuran-2-yl)methyl]-1-(4-ethylphenyl)ethanamine
CID 43223765
1-(4-chlorophenyl)-N-(furan-3-ylmethyl)propan-1-amine
CID 63000908
1-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]propan-1-amine
CID 43194840
N-[(5-bromofuran-2-yl)methyl]-2-ethyl-1-phenylbutan-1-amine
CID 43734675
N-[(5-bromofuran-2-yl)methyl]pentan-2-amine
CID 43177748
1-(4-bromophenyl)-N-[(4-chlorothiophen-2-yl)methyl]propan-1-amine
CID 79420232
1-(4-bromophenyl)-N-(1,2-oxazol-5-ylmethyl)propan-1-amine
CID 103605430
1-(4-chlorophenyl)-N-[(2,3-dichlorophenyl)methyl]propan-1-amine
CID 43434316

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromofuran-2-yl)methyl]-1-(4-chlorophenyl)propan-1-amine?
The IUPAC name of N-[(5-bromofuran-2-yl)methyl]-1-(4-chlorophenyl)propan-1-amine (CID 43688626) is N-[(5-bromofuran-2-yl)methyl]-1-(4-chlorophenyl)propan-1-amine.
What is the SMILES notation for N-[(5-bromofuran-2-yl)methyl]-1-(4-chlorophenyl)propan-1-amine?
The canonical SMILES for N-[(5-bromofuran-2-yl)methyl]-1-(4-chlorophenyl)propan-1-amine is CCC(NCc1ccc(Br)o1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(5-bromofuran-2-yl)methyl]-1-(4-chlorophenyl)propan-1-amine?
The InChIKey is WMPSVAOIFLHZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClNO/c1-2-13(10-3-5-11(16)6-4-10)17-9-12-7-8-14(15)18-12/h3-8,13,17H,2,9H2,1H3.
What are the key properties of N-[(5-bromofuran-2-yl)methyl]-1-(4-chlorophenyl)propan-1-amine?
N-[(5-bromofuran-2-yl)methyl]-1-(4-chlorophenyl)propan-1-amine has a molecular weight of 328.64 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromofuran-2-yl)methyl]-1-(4-chlorophenyl)propan-1-amine is sourced from PubChem (CID 43688626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).