N'-[(5-bromothiophen-3-yl)methyl]-N-(4-chlorophenyl)-N'-methylethane-1,2-diamine

C14H16BrClN2S — CID 63501696

IUPACN'-[(5-bromothiophen-3-yl)methyl]-N-(4-chlorophenyl)-N'-methylethane-1,2-diamine
SMILESCN(CCNc1ccc(Cl)cc1)Cc1csc(Br)c1
InChIInChI=1S/C14H16BrClN2S/c1-18(9-11-8-14(15)19-10-11)7-6-17-13-4-2-12(16)3-5-13/h2-5,8,10,17H,6-7,9H2,1H3
InChIKeyNQKWZGAJHYXYJW-UHFFFAOYSA-N
MW359.72 g/mol
LogP4.71
Rot. Bonds6

About N'-[(5-bromothiophen-3-yl)methyl]-N-(4-chlorophenyl)-N'-methylethane-1,2-diamine

N'-[(5-bromothiophen-3-yl)methyl]-N-(4-chlorophenyl)-N'-methylethane-1,2-diamine (PubChem CID 63501696) has the molecular formula C14H16BrClN2S and a molecular weight of 359.72 g/mol. Its IUPAC name is N'-[(5-bromothiophen-3-yl)methyl]-N-(4-chlorophenyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(5-bromothiophen-3-yl)methyl]-N-(4-chlorophenyl)-N'-methylethane-1,2-diamine
PubChem CID63501696
Molecular FormulaC14H16BrClN2S
Molecular Weight359.72 g/mol
Exact Mass357.99
IUPAC NameN'-[(5-bromothiophen-3-yl)methyl]-N-(4-chlorophenyl)-N'-methylethane-1,2-diamine
SMILESCN(CCNc1ccc(Cl)cc1)Cc1csc(Br)c1
InChIInChI=1S/C14H16BrClN2S/c1-18(9-11-8-14(15)19-10-11)7-6-17-13-4-2-12(16)3-5-13/h2-5,8,10,17H,6-7,9H2,1H3
InChIKeyNQKWZGAJHYXYJW-UHFFFAOYSA-N
XLogP4.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.72
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[(4-bromothiophen-2-yl)methyl]-N-(4-chlorophenyl)-N'-methylethane-1,2-diamine
CID 63503741
N-(3-bromophenyl)-N'-[(5-bromothiophen-3-yl)methyl]-N'-methylethane-1,2-diamine
CID 55197214
N'-[(5-bromothiophen-3-yl)methyl]-N'-methyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62557186
N'-[(5-bromothiophen-3-yl)methyl]-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 62557712
N-[(5-bromothiophen-3-yl)methyl]-5-chloro-N,2-dimethylbenzamide
CID 82883457
2-[(5-bromothiophen-3-yl)methyl-methylamino]-1-(2,4-dichlorophenyl)ethanone
CID 63566489
3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-4-fluorobenzohydrazide
CID 107458562
4-N-[(5-bromothiophen-3-yl)methyl]-2-chloro-1-N,1-N-dimethylbenzene-1,4-diamine
CID 54865415
N'-[(5-bromothiophen-3-yl)methyl]-N-(cyclohexylmethyl)-N'-methylethane-1,2-diamine
CID 63502049
1-(5-bromothiophen-3-yl)-N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-methylmethanamine
CID 80609531
N-[(5-bromothiophen-3-yl)methyl]-2,5-dichloro-N-methylbenzamide
CID 47389181
1-[(5-bromothiophen-3-yl)methyl]-3-(3,5-dichlorophenyl)-1-methylurea
CID 107653640

Frequently Asked Questions

What is the IUPAC name of N'-[(5-bromothiophen-3-yl)methyl]-N-(4-chlorophenyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-[(5-bromothiophen-3-yl)methyl]-N-(4-chlorophenyl)-N'-methylethane-1,2-diamine (CID 63501696) is N'-[(5-bromothiophen-3-yl)methyl]-N-(4-chlorophenyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-[(5-bromothiophen-3-yl)methyl]-N-(4-chlorophenyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-[(5-bromothiophen-3-yl)methyl]-N-(4-chlorophenyl)-N'-methylethane-1,2-diamine is CN(CCNc1ccc(Cl)cc1)Cc1csc(Br)c1.
What is the InChIKey of N'-[(5-bromothiophen-3-yl)methyl]-N-(4-chlorophenyl)-N'-methylethane-1,2-diamine?
The InChIKey is NQKWZGAJHYXYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClN2S/c1-18(9-11-8-14(15)19-10-11)7-6-17-13-4-2-12(16)3-5-13/h2-5,8,10,17H,6-7,9H2,1H3.
What are the key properties of N'-[(5-bromothiophen-3-yl)methyl]-N-(4-chlorophenyl)-N'-methylethane-1,2-diamine?
N'-[(5-bromothiophen-3-yl)methyl]-N-(4-chlorophenyl)-N'-methylethane-1,2-diamine has a molecular weight of 359.72 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5-bromothiophen-3-yl)methyl]-N-(4-chlorophenyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 63501696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).