N-[(3-bromo-5-methylthiophen-2-yl)-(3-chlorophenyl)methyl]propan-1-amine

C15H17BrClNS — CID 65278364

IUPACN-[(3-bromo-5-methylthiophen-2-yl)-(3-chlorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(Cl)c1)c1sc(C)cc1Br
InChIInChI=1S/C15H17BrClNS/c1-3-7-18-14(11-5-4-6-12(17)9-11)15-13(16)8-10(2)19-15/h4-6,8-9,14,18H,3,7H2,1-2H3
InChIKeyKVSICLDXYWAUPX-UHFFFAOYSA-N
MW358.73 g/mol
LogP5.56
Rot. Bonds5

About N-[(3-bromo-5-methylthiophen-2-yl)-(3-chlorophenyl)methyl]propan-1-amine

N-[(3-bromo-5-methylthiophen-2-yl)-(3-chlorophenyl)methyl]propan-1-amine (PubChem CID 65278364) has the molecular formula C15H17BrClNS and a molecular weight of 358.73 g/mol. Its IUPAC name is N-[(3-bromo-5-methylthiophen-2-yl)-(3-chlorophenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-bromo-5-methylthiophen-2-yl)-(3-chlorophenyl)methyl]propan-1-amine
PubChem CID65278364
Molecular FormulaC15H17BrClNS
Molecular Weight358.73 g/mol
Exact Mass357.00
IUPAC NameN-[(3-bromo-5-methylthiophen-2-yl)-(3-chlorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(Cl)c1)c1sc(C)cc1Br
InChIInChI=1S/C15H17BrClNS/c1-3-7-18-14(11-5-4-6-12(17)9-11)15-13(16)8-10(2)19-15/h4-6,8-9,14,18H,3,7H2,1-2H3
InChIKeyKVSICLDXYWAUPX-UHFFFAOYSA-N
XLogP5.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.73
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-5-methylthiophen-2-yl)-(3-chlorophenyl)methanol
CID 65278280
N-[(3-bromo-5-methylthiophen-2-yl)-(2,3-dimethylphenyl)methyl]propan-1-amine
CID 65278365
N-[(3-bromo-5-methylthiophen-2-yl)-(2-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 81477943
N-[(3-chlorophenyl)-(4,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 115811211
N-[(3-chlorophenyl)-(2,4-dibromophenyl)methyl]propan-1-amine
CID 107945231
N-[(3-bromo-5-methylthiophen-2-yl)-(3-fluoro-4-methoxyphenyl)methyl]propan-1-amine
CID 65278362
N-[(3,5-dichlorophenyl)-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 81157391
N-[(3-chlorophenyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 43625480
N-[(3-bromo-5-methylthiophen-2-yl)-(2,3,4-trifluorophenyl)methyl]propan-1-amine
CID 79754639
N-[(3-chlorophenyl)-(2,4,6-trimethylphenyl)methyl]propan-1-amine
CID 43496369
N-[(3-chlorophenyl)-(2-methylphenyl)methyl]propan-1-amine
CID 60819696
N-[(3-chlorophenyl)-(2,4,5-trimethylphenyl)methyl]propan-1-amine
CID 64989692

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-5-methylthiophen-2-yl)-(3-chlorophenyl)methyl]propan-1-amine?
The IUPAC name of N-[(3-bromo-5-methylthiophen-2-yl)-(3-chlorophenyl)methyl]propan-1-amine (CID 65278364) is N-[(3-bromo-5-methylthiophen-2-yl)-(3-chlorophenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-bromo-5-methylthiophen-2-yl)-(3-chlorophenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-bromo-5-methylthiophen-2-yl)-(3-chlorophenyl)methyl]propan-1-amine is CCCNC(c1cccc(Cl)c1)c1sc(C)cc1Br.
What is the InChIKey of N-[(3-bromo-5-methylthiophen-2-yl)-(3-chlorophenyl)methyl]propan-1-amine?
The InChIKey is KVSICLDXYWAUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrClNS/c1-3-7-18-14(11-5-4-6-12(17)9-11)15-13(16)8-10(2)19-15/h4-6,8-9,14,18H,3,7H2,1-2H3.
What are the key properties of N-[(3-bromo-5-methylthiophen-2-yl)-(3-chlorophenyl)methyl]propan-1-amine?
N-[(3-bromo-5-methylthiophen-2-yl)-(3-chlorophenyl)methyl]propan-1-amine has a molecular weight of 358.73 g/mol, XLogP of 5.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-5-methylthiophen-2-yl)-(3-chlorophenyl)methyl]propan-1-amine is sourced from PubChem (CID 65278364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).