N-[(5-bromofuran-2-yl)-(3-chloro-5-methylphenyl)methyl]propan-1-amine

C15H17BrClNO — CID 81323088

IUPACN-[(5-bromofuran-2-yl)-(3-chloro-5-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)cc(Cl)c1)c1ccc(Br)o1
InChIInChI=1S/C15H17BrClNO/c1-3-6-18-15(13-4-5-14(16)19-13)11-7-10(2)8-12(17)9-11/h4-5,7-9,15,18H,3,6H2,1-2H3
InChIKeyYRLNVOHFROKYMZ-UHFFFAOYSA-N
MW342.66 g/mol
LogP5.09
Rot. Bonds5

About N-[(5-bromofuran-2-yl)-(3-chloro-5-methylphenyl)methyl]propan-1-amine

N-[(5-bromofuran-2-yl)-(3-chloro-5-methylphenyl)methyl]propan-1-amine (PubChem CID 81323088) has the molecular formula C15H17BrClNO and a molecular weight of 342.66 g/mol. Its IUPAC name is N-[(5-bromofuran-2-yl)-(3-chloro-5-methylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-bromofuran-2-yl)-(3-chloro-5-methylphenyl)methyl]propan-1-amine
PubChem CID81323088
Molecular FormulaC15H17BrClNO
Molecular Weight342.66 g/mol
Exact Mass341.02
IUPAC NameN-[(5-bromofuran-2-yl)-(3-chloro-5-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)cc(Cl)c1)c1ccc(Br)o1
InChIInChI=1S/C15H17BrClNO/c1-3-6-18-15(13-4-5-14(16)19-13)11-7-10(2)8-12(17)9-11/h4-5,7-9,15,18H,3,6H2,1-2H3
InChIKeyYRLNVOHFROKYMZ-UHFFFAOYSA-N
XLogP5.09
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.66
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(5-bromofuran-2-yl)-(3-chloro-5-methylphenyl)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)-(2,4,6-trimethylphenyl)methyl]propan-1-amine
CID 43496337
N-[(3-chloro-5-methylphenyl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 105016393
(5-bromofuran-2-yl)-(3-chloro-5-methylphenyl)methanamine
CID 81322931
N-[(3-chloro-5-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 115792668
N-[(4-bromothiophen-3-yl)-(3-chloro-5-methylphenyl)methyl]propan-1-amine
CID 105010546
N-[(5-bromofuran-2-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]propan-1-amine
CID 106883535
N-[(5-bromofuran-2-yl)-(4-butan-2-ylphenyl)methyl]propan-1-amine
CID 43495744
N-[(5-bromofuran-2-yl)-(3-ethylphenyl)methyl]propan-1-amine
CID 105018504
N-[(3-chloro-5-methylphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 115858459
N-[(3-chloro-5-methylphenyl)-(3-ethylphenyl)methyl]propan-1-amine
CID 105018545
N-[(5-bromofuran-2-yl)-(5-methyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 105045147
N-[(3,5-dibromophenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine
CID 107979814

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromofuran-2-yl)-(3-chloro-5-methylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(5-bromofuran-2-yl)-(3-chloro-5-methylphenyl)methyl]propan-1-amine (CID 81323088) is N-[(5-bromofuran-2-yl)-(3-chloro-5-methylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-bromofuran-2-yl)-(3-chloro-5-methylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-bromofuran-2-yl)-(3-chloro-5-methylphenyl)methyl]propan-1-amine is CCCNC(c1cc(C)cc(Cl)c1)c1ccc(Br)o1.
What is the InChIKey of N-[(5-bromofuran-2-yl)-(3-chloro-5-methylphenyl)methyl]propan-1-amine?
The InChIKey is YRLNVOHFROKYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrClNO/c1-3-6-18-15(13-4-5-14(16)19-13)11-7-10(2)8-12(17)9-11/h4-5,7-9,15,18H,3,6H2,1-2H3.
What are the key properties of N-[(5-bromofuran-2-yl)-(3-chloro-5-methylphenyl)methyl]propan-1-amine?
N-[(5-bromofuran-2-yl)-(3-chloro-5-methylphenyl)methyl]propan-1-amine has a molecular weight of 342.66 g/mol, XLogP of 5.09, 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)-(3-chloro-5-methylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 81323088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).