N-[(3-bromothiophen-2-yl)methyl]-1-(3-chlorophenyl)-N-methylmethanamine

C13H13BrClNS — CID 63456654

IUPACN-[(3-bromothiophen-2-yl)methyl]-1-(3-chlorophenyl)-N-methylmethanamine
SMILESCN(Cc1cccc(Cl)c1)Cc1sccc1Br
InChIInChI=1S/C13H13BrClNS/c1-16(9-13-12(14)5-6-17-13)8-10-3-2-4-11(15)7-10/h2-7H,8-9H2,1H3
InChIKeyWNEZOQVINQGFRS-UHFFFAOYSA-N
MW330.68 g/mol
LogP4.80
Rot. Bonds4

About N-[(3-bromothiophen-2-yl)methyl]-1-(3-chlorophenyl)-N-methylmethanamine

N-[(3-bromothiophen-2-yl)methyl]-1-(3-chlorophenyl)-N-methylmethanamine (PubChem CID 63456654) has the molecular formula C13H13BrClNS and a molecular weight of 330.68 g/mol. Its IUPAC name is N-[(3-bromothiophen-2-yl)methyl]-1-(3-chlorophenyl)-N-methylmethanamine.

Molecular Properties

Compound NameN-[(3-bromothiophen-2-yl)methyl]-1-(3-chlorophenyl)-N-methylmethanamine
PubChem CID63456654
Molecular FormulaC13H13BrClNS
Molecular Weight330.68 g/mol
Exact Mass328.96
IUPAC NameN-[(3-bromothiophen-2-yl)methyl]-1-(3-chlorophenyl)-N-methylmethanamine
SMILESCN(Cc1cccc(Cl)c1)Cc1sccc1Br
InChIInChI=1S/C13H13BrClNS/c1-16(9-13-12(14)5-6-17-13)8-10-3-2-4-11(15)7-10/h2-7H,8-9H2,1H3
InChIKeyWNEZOQVINQGFRS-UHFFFAOYSA-N
XLogP4.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.68
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromo-3-nitrophenyl)methyl]-1-(3-chlorophenyl)-N-methylmethanamine
CID 115557639
N-[(3-bromothiophen-2-yl)methyl]-1-(3-chlorophenyl)propan-2-amine
CID 113297998
1-(3-bromothiophen-2-yl)-3-(3-chlorophenyl)-N-ethylpropan-2-amine
CID 63412081
1-N-[(3-chlorophenyl)methyl]-2-ethyl-1-N-methylbutane-1,2-diamine
CID 79812657
N-[(3-bromothiophen-2-yl)methyl]-N-methylpropan-1-amine
CID 48542145
1-[3-[[(3-chlorophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine
CID 62431544
2-[(3-chlorophenyl)methyl-methylamino]acetonitrile
CID 60699809
3-bromo-2-[1-chloro-2-(3-chlorophenyl)ethyl]thiophene
CID 63799658
N-[(3-bromothiophen-2-yl)methyl]-N-methyl-1-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 63823450
1-N-[(3-chlorophenyl)methyl]-1-N,3-dimethylbutane-1,2-diamine
CID 61417455
N-[(3-chlorophenyl)methyl]-N',N'-diethyl-N-methylethane-1,2-diamine
CID 784062
1-[(3-chlorophenyl)methyl-methylamino]propan-2-one
CID 60650818

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-1-(3-chlorophenyl)-N-methylmethanamine?
The IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-1-(3-chlorophenyl)-N-methylmethanamine (CID 63456654) is N-[(3-bromothiophen-2-yl)methyl]-1-(3-chlorophenyl)-N-methylmethanamine.
What is the SMILES notation for N-[(3-bromothiophen-2-yl)methyl]-1-(3-chlorophenyl)-N-methylmethanamine?
The canonical SMILES for N-[(3-bromothiophen-2-yl)methyl]-1-(3-chlorophenyl)-N-methylmethanamine is CN(Cc1cccc(Cl)c1)Cc1sccc1Br.
What is the InChIKey of N-[(3-bromothiophen-2-yl)methyl]-1-(3-chlorophenyl)-N-methylmethanamine?
The InChIKey is WNEZOQVINQGFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClNS/c1-16(9-13-12(14)5-6-17-13)8-10-3-2-4-11(15)7-10/h2-7H,8-9H2,1H3.
What are the key properties of N-[(3-bromothiophen-2-yl)methyl]-1-(3-chlorophenyl)-N-methylmethanamine?
N-[(3-bromothiophen-2-yl)methyl]-1-(3-chlorophenyl)-N-methylmethanamine has a molecular weight of 330.68 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromothiophen-2-yl)methyl]-1-(3-chlorophenyl)-N-methylmethanamine is sourced from PubChem (CID 63456654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).