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

C14H16BrClN2S — CID 61413428

IUPAC1-(4-bromothiophen-2-yl)-N-[(3-chlorophenyl)methyl]-N-methylethane-1,2-diamine
SMILESCN(Cc1cccc(Cl)c1)C(CN)c1cc(Br)cs1
InChIInChI=1S/C14H16BrClN2S/c1-18(8-10-3-2-4-12(16)5-10)13(7-17)14-6-11(15)9-19-14/h2-6,9,13H,7-8,17H2,1H3
InChIKeyVMVQNAZJZSFPNA-UHFFFAOYSA-N
MW359.72 g/mol
LogP4.30
Rot. Bonds5

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

1-(4-bromothiophen-2-yl)-N-[(3-chlorophenyl)methyl]-N-methylethane-1,2-diamine (PubChem CID 61413428) has the molecular formula C14H16BrClN2S and a molecular weight of 359.72 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-N-[(3-chlorophenyl)methyl]-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-N-[(3-chlorophenyl)methyl]-N-methylethane-1,2-diamine
PubChem CID61413428
Molecular FormulaC14H16BrClN2S
Molecular Weight359.72 g/mol
Exact Mass357.99
IUPAC Name1-(4-bromothiophen-2-yl)-N-[(3-chlorophenyl)methyl]-N-methylethane-1,2-diamine
SMILESCN(Cc1cccc(Cl)c1)C(CN)c1cc(Br)cs1
InChIInChI=1S/C14H16BrClN2S/c1-18(8-10-3-2-4-12(16)5-10)13(7-17)14-6-11(15)9-19-14/h2-6,9,13H,7-8,17H2,1H3
InChIKeyVMVQNAZJZSFPNA-UHFFFAOYSA-N
XLogP4.30
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.72
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorothiophen-2-yl)-N-methyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 79426613
1-(4-bromo-2-fluorophenyl)-N-[(3-chlorophenyl)methyl]-N-methylethane-1,2-diamine
CID 61413518
N-[(3-bromophenyl)methyl]-1-(3,5-dichlorophenyl)-N-methylethane-1,2-diamine
CID 63471937
2-N-[(3-chlorophenyl)methyl]-2-N-methylbutane-1,2-diamine
CID 61413099
N-[(3-bromophenyl)methyl]-1-(4-chloro-2-fluorophenyl)-N-methylethane-1,2-diamine
CID 114842951
1-(4-bromothiophen-2-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 61438454
1-(4-bromothiophen-2-yl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine
CID 55013909
1-(4-bromo-5-methylthiophen-2-yl)-N-[(3-bromophenyl)methyl]-N-methylethane-1,2-diamine
CID 102838606
1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 102838401
1-N-[(3-chlorophenyl)methyl]-1-N-methyl-1-thiophen-2-ylpropane-1,2-diamine
CID 55022248
1-(4-chlorothiophen-2-yl)-N-(furan-2-ylmethyl)-N-methylethane-1,2-diamine
CID 79427830
1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 102838561

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-N-[(3-chlorophenyl)methyl]-N-methylethane-1,2-diamine?
The IUPAC name of 1-(4-bromothiophen-2-yl)-N-[(3-chlorophenyl)methyl]-N-methylethane-1,2-diamine (CID 61413428) is 1-(4-bromothiophen-2-yl)-N-[(3-chlorophenyl)methyl]-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-N-[(3-chlorophenyl)methyl]-N-methylethane-1,2-diamine?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-N-[(3-chlorophenyl)methyl]-N-methylethane-1,2-diamine is CN(Cc1cccc(Cl)c1)C(CN)c1cc(Br)cs1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-N-[(3-chlorophenyl)methyl]-N-methylethane-1,2-diamine?
The InChIKey is VMVQNAZJZSFPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClN2S/c1-18(8-10-3-2-4-12(16)5-10)13(7-17)14-6-11(15)9-19-14/h2-6,9,13H,7-8,17H2,1H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-N-[(3-chlorophenyl)methyl]-N-methylethane-1,2-diamine?
1-(4-bromothiophen-2-yl)-N-[(3-chlorophenyl)methyl]-N-methylethane-1,2-diamine has a molecular weight of 359.72 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-N-[(3-chlorophenyl)methyl]-N-methylethane-1,2-diamine is sourced from PubChem (CID 61413428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).