2-[(3-bromothiophen-2-yl)methyl]-3-(4-chlorophenyl)-N-methylpropan-1-amine

C15H17BrClNS — CID 63521712

IUPAC2-[(3-bromothiophen-2-yl)methyl]-3-(4-chlorophenyl)-N-methylpropan-1-amine
SMILESCNCC(Cc1ccc(Cl)cc1)Cc1sccc1Br
InChIInChI=1S/C15H17BrClNS/c1-18-10-12(9-15-14(16)6-7-19-15)8-11-2-4-13(17)5-3-11/h2-7,12,18H,8-10H2,1H3
InChIKeyQMZMZZZPAZOZNK-UHFFFAOYSA-N
MW358.73 g/mol
LogP4.78
Rot. Bonds6

About 2-[(3-bromothiophen-2-yl)methyl]-3-(4-chlorophenyl)-N-methylpropan-1-amine

2-[(3-bromothiophen-2-yl)methyl]-3-(4-chlorophenyl)-N-methylpropan-1-amine (PubChem CID 63521712) has the molecular formula C15H17BrClNS and a molecular weight of 358.73 g/mol. Its IUPAC name is 2-[(3-bromothiophen-2-yl)methyl]-3-(4-chlorophenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-[(3-bromothiophen-2-yl)methyl]-3-(4-chlorophenyl)-N-methylpropan-1-amine
PubChem CID63521712
Molecular FormulaC15H17BrClNS
Molecular Weight358.73 g/mol
Exact Mass357.00
IUPAC Name2-[(3-bromothiophen-2-yl)methyl]-3-(4-chlorophenyl)-N-methylpropan-1-amine
SMILESCNCC(Cc1ccc(Cl)cc1)Cc1sccc1Br
InChIInChI=1S/C15H17BrClNS/c1-18-10-12(9-15-14(16)6-7-19-15)8-11-2-4-13(17)5-3-11/h2-7,12,18H,8-10H2,1H3
InChIKeyQMZMZZZPAZOZNK-UHFFFAOYSA-N
XLogP4.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.73
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-bromothiophen-2-yl)methyl]-3-(4-chlorophenyl)-N-propan-2-ylpropan-1-amine
CID 63523324
2-[(3-bromothiophen-2-yl)methyl]-3-(3-fluorophenyl)-N-methylpropan-1-amine
CID 62516456
2-[(2-bromophenyl)methyl]-3-(3-bromothiophen-2-yl)-N-methylpropan-1-amine
CID 63521959
2-[(3-bromothiophen-2-yl)methyl]-N-ethyl-3-(4-methylphenyl)propan-1-amine
CID 63522590
N-[3-(3-bromothiophen-2-yl)-2-(4-chlorophenyl)propyl]-2-methylpropan-1-amine
CID 79432398
2-[(3-bromophenyl)methyl]-3-(4-chlorophenyl)-N-methylpropan-1-amine
CID 63522603
3-bromo-2-[2-(bromomethyl)-3-(4-methylphenyl)propyl]thiophene
CID 66042276
3-(3-bromothiophen-2-yl)-2-(3-chlorophenyl)-N-methylpropan-1-amine
CID 79442587
3-bromo-2-[2-(chloromethyl)-3-(4-fluorophenyl)propyl]thiophene
CID 66035034
2-[(3-bromothiophen-2-yl)methyl]-N,3,3-trimethylbutan-1-amine
CID 83138413
2-[(4-chlorophenyl)methyl]-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 63775752
3-(4-chlorophenyl)-2-[(2-chlorophenyl)methyl]-N-methylpropan-1-amine
CID 63523145

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromothiophen-2-yl)methyl]-3-(4-chlorophenyl)-N-methylpropan-1-amine?
The IUPAC name of 2-[(3-bromothiophen-2-yl)methyl]-3-(4-chlorophenyl)-N-methylpropan-1-amine (CID 63521712) is 2-[(3-bromothiophen-2-yl)methyl]-3-(4-chlorophenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 2-[(3-bromothiophen-2-yl)methyl]-3-(4-chlorophenyl)-N-methylpropan-1-amine?
The canonical SMILES for 2-[(3-bromothiophen-2-yl)methyl]-3-(4-chlorophenyl)-N-methylpropan-1-amine is CNCC(Cc1ccc(Cl)cc1)Cc1sccc1Br.
What is the InChIKey of 2-[(3-bromothiophen-2-yl)methyl]-3-(4-chlorophenyl)-N-methylpropan-1-amine?
The InChIKey is QMZMZZZPAZOZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrClNS/c1-18-10-12(9-15-14(16)6-7-19-15)8-11-2-4-13(17)5-3-11/h2-7,12,18H,8-10H2,1H3.
What are the key properties of 2-[(3-bromothiophen-2-yl)methyl]-3-(4-chlorophenyl)-N-methylpropan-1-amine?
2-[(3-bromothiophen-2-yl)methyl]-3-(4-chlorophenyl)-N-methylpropan-1-amine has a molecular weight of 358.73 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromothiophen-2-yl)methyl]-3-(4-chlorophenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 63521712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).