1-(4-bromophenyl)-N-[(5-chlorofuran-2-yl)methyl]propan-1-amine

C14H15BrClNO — CID 60664059

IUPAC1-(4-bromophenyl)-N-[(5-chlorofuran-2-yl)methyl]propan-1-amine
SMILESCCC(NCc1ccc(Cl)o1)c1ccc(Br)cc1
InChIInChI=1S/C14H15BrClNO/c1-2-13(10-3-5-11(15)6-4-10)17-9-12-7-8-14(16)18-12/h3-8,13,17H,2,9H2,1H3
InChIKeyBMPSWFLWVAEXNW-UHFFFAOYSA-N
MW328.64 g/mol
LogP4.94
Rot. Bonds5

About 1-(4-bromophenyl)-N-[(5-chlorofuran-2-yl)methyl]propan-1-amine

1-(4-bromophenyl)-N-[(5-chlorofuran-2-yl)methyl]propan-1-amine (PubChem CID 60664059) has the molecular formula C14H15BrClNO and a molecular weight of 328.64 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[(5-chlorofuran-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[(5-chlorofuran-2-yl)methyl]propan-1-amine
PubChem CID60664059
Molecular FormulaC14H15BrClNO
Molecular Weight328.64 g/mol
Exact Mass327.00
IUPAC Name1-(4-bromophenyl)-N-[(5-chlorofuran-2-yl)methyl]propan-1-amine
SMILESCCC(NCc1ccc(Cl)o1)c1ccc(Br)cc1
InChIInChI=1S/C14H15BrClNO/c1-2-13(10-3-5-11(15)6-4-10)17-9-12-7-8-14(16)18-12/h3-8,13,17H,2,9H2,1H3
InChIKeyBMPSWFLWVAEXNW-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

Analyze 1-(4-bromophenyl)-N-[(5-chlorofuran-2-yl)methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-bromofuran-2-yl)methyl]-1-(4-chlorophenyl)propan-1-amine
CID 43688626
1-(4-bromophenyl)-N-(1,2-oxazol-5-ylmethyl)propan-1-amine
CID 103605430
1-(4-bromophenyl)-N-[(4-chlorothiophen-2-yl)methyl]propan-1-amine
CID 79420232
N-[(5-chlorofuran-2-yl)methyl]-3-ethylpentan-2-amine
CID 63842241
N-[(5-chlorofuran-2-yl)methyl]-3,3-dimethyl-1-phenylbutan-1-amine
CID 60780951
1-(4-chlorophenyl)-N-[(5-nitrofuran-2-yl)methyl]propan-1-amine
CID 43782164
2-[[1-(4-bromophenyl)propylamino]methyl]-4,6-dichlorophenol
CID 43692342
1-(4-bromophenyl)-N-[(5-chlorofuran-2-yl)methyl]methanamine
CID 60658991
5-[[1-(4-methoxyphenyl)propylamino]methyl]furan-2-carbonitrile
CID 115651531
(1S)-N-[(5-chlorofuran-2-yl)methyl]-1-(4-ethoxyphenyl)ethanamine
CID 93317247
1-(4-bromophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 103787159
4-[[1-(4-bromophenyl)propylamino]methyl]-N,N-dimethylaniline
CID 43182464

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[(5-chlorofuran-2-yl)methyl]propan-1-amine?
The IUPAC name of 1-(4-bromophenyl)-N-[(5-chlorofuran-2-yl)methyl]propan-1-amine (CID 60664059) is 1-(4-bromophenyl)-N-[(5-chlorofuran-2-yl)methyl]propan-1-amine.
What is the SMILES notation for 1-(4-bromophenyl)-N-[(5-chlorofuran-2-yl)methyl]propan-1-amine?
The canonical SMILES for 1-(4-bromophenyl)-N-[(5-chlorofuran-2-yl)methyl]propan-1-amine is CCC(NCc1ccc(Cl)o1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-[(5-chlorofuran-2-yl)methyl]propan-1-amine?
The InChIKey is BMPSWFLWVAEXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClNO/c1-2-13(10-3-5-11(15)6-4-10)17-9-12-7-8-14(16)18-12/h3-8,13,17H,2,9H2,1H3.
What are the key properties of 1-(4-bromophenyl)-N-[(5-chlorofuran-2-yl)methyl]propan-1-amine?
1-(4-bromophenyl)-N-[(5-chlorofuran-2-yl)methyl]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 1-(4-bromophenyl)-N-[(5-chlorofuran-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 60664059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).