N-(4-bromo-3-chlorophenyl)-1-(5-ethylthiophen-2-yl)ethane-1,2-diamine

C14H16BrClN2S — CID 107619443

IUPACN-(4-bromo-3-chlorophenyl)-1-(5-ethylthiophen-2-yl)ethane-1,2-diamine
SMILESCCc1ccc(C(CN)Nc2ccc(Br)c(Cl)c2)s1
InChIInChI=1S/C14H16BrClN2S/c1-2-10-4-6-14(19-10)13(8-17)18-9-3-5-11(15)12(16)7-9/h3-7,13,18H,2,8,17H2,1H3
InChIKeyDLLZCLJYLBGIDS-UHFFFAOYSA-N
MW359.72 g/mol
LogP4.84
Rot. Bonds5

About N-(4-bromo-3-chlorophenyl)-1-(5-ethylthiophen-2-yl)ethane-1,2-diamine

N-(4-bromo-3-chlorophenyl)-1-(5-ethylthiophen-2-yl)ethane-1,2-diamine (PubChem CID 107619443) has the molecular formula C14H16BrClN2S and a molecular weight of 359.72 g/mol. Its IUPAC name is N-(4-bromo-3-chlorophenyl)-1-(5-ethylthiophen-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(4-bromo-3-chlorophenyl)-1-(5-ethylthiophen-2-yl)ethane-1,2-diamine
PubChem CID107619443
Molecular FormulaC14H16BrClN2S
Molecular Weight359.72 g/mol
Exact Mass357.99
IUPAC NameN-(4-bromo-3-chlorophenyl)-1-(5-ethylthiophen-2-yl)ethane-1,2-diamine
SMILESCCc1ccc(C(CN)Nc2ccc(Br)c(Cl)c2)s1
InChIInChI=1S/C14H16BrClN2S/c1-2-10-4-6-14(19-10)13(8-17)18-9-3-5-11(15)12(16)7-9/h3-7,13,18H,2,8,17H2,1H3
InChIKeyDLLZCLJYLBGIDS-UHFFFAOYSA-N
XLogP4.84
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.72
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-3-chlorophenyl)-1-(4,5-dibromothiophen-2-yl)ethane-1,2-diamine
CID 107619632
2-N-(4-bromo-3-chlorophenyl)heptane-1,2-diamine
CID 107619613
N-(4-bromo-3-chlorophenyl)-1-(3-ethoxyphenyl)ethane-1,2-diamine
CID 107619711
N-ethyl-1-(5-ethylthiophen-2-yl)ethane-1,2-diamine
CID 62344671
3-chloro-N-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylaniline
CID 55186067
1-(4-bromothiophen-2-yl)-N-(3-chloro-4-methylphenyl)ethane-1,2-diamine
CID 104721794
1-(5-bromothiophen-2-yl)-N-(3-chlorophenyl)ethane-1,2-diamine
CID 65385499
1-(5-ethylthiophen-2-yl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 62540616
1-(4,5-dibromothiophen-2-yl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 102839565
3-bromo-N-[1-(5-ethylthiophen-2-yl)ethyl]-4-fluoroaniline
CID 104775686
3,5-dichloro-N-[1-(5-ethylthiophen-2-yl)ethyl]-4-fluoroaniline
CID 107572802
4-bromo-3-chloro-N-[1-(2,4-dichlorophenyl)propyl]aniline
CID 107618733

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-chlorophenyl)-1-(5-ethylthiophen-2-yl)ethane-1,2-diamine?
The IUPAC name of N-(4-bromo-3-chlorophenyl)-1-(5-ethylthiophen-2-yl)ethane-1,2-diamine (CID 107619443) is N-(4-bromo-3-chlorophenyl)-1-(5-ethylthiophen-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(4-bromo-3-chlorophenyl)-1-(5-ethylthiophen-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-(4-bromo-3-chlorophenyl)-1-(5-ethylthiophen-2-yl)ethane-1,2-diamine is CCc1ccc(C(CN)Nc2ccc(Br)c(Cl)c2)s1.
What is the InChIKey of N-(4-bromo-3-chlorophenyl)-1-(5-ethylthiophen-2-yl)ethane-1,2-diamine?
The InChIKey is DLLZCLJYLBGIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClN2S/c1-2-10-4-6-14(19-10)13(8-17)18-9-3-5-11(15)12(16)7-9/h3-7,13,18H,2,8,17H2,1H3.
What are the key properties of N-(4-bromo-3-chlorophenyl)-1-(5-ethylthiophen-2-yl)ethane-1,2-diamine?
N-(4-bromo-3-chlorophenyl)-1-(5-ethylthiophen-2-yl)ethane-1,2-diamine has a molecular weight of 359.72 g/mol, XLogP of 4.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-chlorophenyl)-1-(5-ethylthiophen-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 107619443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).