N-[(4-bromothiophen-2-yl)methyl]-1-(4-chlorophenyl)-N-methylmethanamine

C13H13BrClNS — CID 63458325

IUPACN-[(4-bromothiophen-2-yl)methyl]-1-(4-chlorophenyl)-N-methylmethanamine
SMILESCN(Cc1ccc(Cl)cc1)Cc1cc(Br)cs1
InChIInChI=1S/C13H13BrClNS/c1-16(8-13-6-11(14)9-17-13)7-10-2-4-12(15)5-3-10/h2-6,9H,7-8H2,1H3
InChIKeyKYWWTXWYRWQKRA-UHFFFAOYSA-N
MW330.68 g/mol
LogP4.80
Rot. Bonds4

About N-[(4-bromothiophen-2-yl)methyl]-1-(4-chlorophenyl)-N-methylmethanamine

N-[(4-bromothiophen-2-yl)methyl]-1-(4-chlorophenyl)-N-methylmethanamine (PubChem CID 63458325) has the molecular formula C13H13BrClNS and a molecular weight of 330.68 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-1-(4-chlorophenyl)-N-methylmethanamine.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-1-(4-chlorophenyl)-N-methylmethanamine
PubChem CID63458325
Molecular FormulaC13H13BrClNS
Molecular Weight330.68 g/mol
Exact Mass328.96
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-1-(4-chlorophenyl)-N-methylmethanamine
SMILESCN(Cc1ccc(Cl)cc1)Cc1cc(Br)cs1
InChIInChI=1S/C13H13BrClNS/c1-16(8-13-6-11(14)9-17-13)7-10-2-4-12(15)5-3-10/h2-6,9H,7-8H2,1H3
InChIKeyKYWWTXWYRWQKRA-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

[5-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-2-fluorophenyl]methanamine
CID 107878267
4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-2-fluoroaniline
CID 63189170
N'-[(4-bromothiophen-2-yl)methyl]-N-(4-chlorophenyl)-N'-methylethane-1,2-diamine
CID 63503741
2-[4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]phenyl]acetohydrazide
CID 105351841
N-[(4-bromothiophen-2-yl)methyl]-1-(3-fluorophenyl)-N-methylmethanamine
CID 54942400
4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-2-fluorobenzoic acid
CID 106699183
2-[4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]phenyl]-N-methylpropan-1-amine
CID 105347344
2-bromo-5-[[(4-chlorophenyl)methyl-methylamino]methyl]aniline
CID 115557065
2-[(4-bromothiophen-2-yl)methyl-methylamino]-5-chlorobenzaldehyde
CID 114844120
N,N'-bis[(4-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 10472232
2-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62184253
2-[(4-bromothiophen-2-yl)methyl-methylamino]acetaldehyde
CID 62053063

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-1-(4-chlorophenyl)-N-methylmethanamine?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-1-(4-chlorophenyl)-N-methylmethanamine (CID 63458325) is N-[(4-bromothiophen-2-yl)methyl]-1-(4-chlorophenyl)-N-methylmethanamine.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-1-(4-chlorophenyl)-N-methylmethanamine?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-1-(4-chlorophenyl)-N-methylmethanamine is CN(Cc1ccc(Cl)cc1)Cc1cc(Br)cs1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-1-(4-chlorophenyl)-N-methylmethanamine?
The InChIKey is KYWWTXWYRWQKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClNS/c1-16(8-13-6-11(14)9-17-13)7-10-2-4-12(15)5-3-10/h2-6,9H,7-8H2,1H3.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-1-(4-chlorophenyl)-N-methylmethanamine?
N-[(4-bromothiophen-2-yl)methyl]-1-(4-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-[(4-bromothiophen-2-yl)methyl]-1-(4-chlorophenyl)-N-methylmethanamine is sourced from PubChem (CID 63458325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).