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

C14H16BrClN2S — CID 63503741

IUPACN'-[(4-bromothiophen-2-yl)methyl]-N-(4-chlorophenyl)-N'-methylethane-1,2-diamine
SMILESCN(CCNc1ccc(Cl)cc1)Cc1cc(Br)cs1
InChIInChI=1S/C14H16BrClN2S/c1-18(9-14-8-11(15)10-19-14)7-6-17-13-4-2-12(16)3-5-13/h2-5,8,10,17H,6-7,9H2,1H3
InChIKeyDHZYTGIEOBNLQH-UHFFFAOYSA-N
MW359.72 g/mol
LogP4.71
Rot. Bonds6

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

N'-[(4-bromothiophen-2-yl)methyl]-N-(4-chlorophenyl)-N'-methylethane-1,2-diamine (PubChem CID 63503741) has the molecular formula C14H16BrClN2S and a molecular weight of 359.72 g/mol. Its IUPAC name is N'-[(4-bromothiophen-2-yl)methyl]-N-(4-chlorophenyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(4-bromothiophen-2-yl)methyl]-N-(4-chlorophenyl)-N'-methylethane-1,2-diamine
PubChem CID63503741
Molecular FormulaC14H16BrClN2S
Molecular Weight359.72 g/mol
Exact Mass357.99
IUPAC NameN'-[(4-bromothiophen-2-yl)methyl]-N-(4-chlorophenyl)-N'-methylethane-1,2-diamine
SMILESCN(CCNc1ccc(Cl)cc1)Cc1cc(Br)cs1
InChIInChI=1S/C14H16BrClN2S/c1-18(9-14-8-11(15)10-19-14)7-6-17-13-4-2-12(16)3-5-13/h2-5,8,10,17H,6-7,9H2,1H3
InChIKeyDHZYTGIEOBNLQH-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'-[(5-bromothiophen-3-yl)methyl]-N-(4-chlorophenyl)-N'-methylethane-1,2-diamine
CID 63501696
N-(3-bromophenyl)-N'-[(4-bromothiophen-2-yl)methyl]-N'-methylethane-1,2-diamine
CID 55196446
N-[(4-bromothiophen-2-yl)methyl]-1-(4-chlorophenyl)-N-methylmethanamine
CID 63458325
N-(4-bromophenyl)-N'-methyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 55090095
N'-[(4-bromothiophen-2-yl)methyl]-N-[2-(diethylamino)ethyl]-N'-methylethane-1,2-diamine
CID 55090281
N-(4-chlorophenyl)-N'-methyl-N'-(3-methylbutyl)ethane-1,2-diamine
CID 55088831
N'-[(4-bromothiophen-2-yl)methyl]-N-ethyl-N'-methylbutane-1,4-diamine
CID 62430991
2-[(4-bromothiophen-2-yl)methyl-methylamino]-5-chlorobenzaldehyde
CID 114844120
N'-[(4-bromothiophen-2-yl)methyl]-N'-methyl-N-propylbutane-1,4-diamine
CID 62430992
3-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(2-chlorophenyl)propan-1-one
CID 62642965
N-[(4-bromothiophen-2-yl)methyl]-N'-methyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 62560033
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]-N-(4-chlorophenyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-[(4-bromothiophen-2-yl)methyl]-N-(4-chlorophenyl)-N'-methylethane-1,2-diamine (CID 63503741) is N'-[(4-bromothiophen-2-yl)methyl]-N-(4-chlorophenyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-[(4-bromothiophen-2-yl)methyl]-N-(4-chlorophenyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-[(4-bromothiophen-2-yl)methyl]-N-(4-chlorophenyl)-N'-methylethane-1,2-diamine is CN(CCNc1ccc(Cl)cc1)Cc1cc(Br)cs1.
What is the InChIKey of N'-[(4-bromothiophen-2-yl)methyl]-N-(4-chlorophenyl)-N'-methylethane-1,2-diamine?
The InChIKey is DHZYTGIEOBNLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClN2S/c1-18(9-14-8-11(15)10-19-14)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'-[(4-bromothiophen-2-yl)methyl]-N-(4-chlorophenyl)-N'-methylethane-1,2-diamine?
N'-[(4-bromothiophen-2-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'-[(4-bromothiophen-2-yl)methyl]-N-(4-chlorophenyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 63503741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).