N-[(5-chlorothiophen-2-yl)methyl]-1-(2,3-dichlorophenyl)-N-methylethane-1,2-diamine

C14H15Cl3N2S — CID 61438735

IUPACN-[(5-chlorothiophen-2-yl)methyl]-1-(2,3-dichlorophenyl)-N-methylethane-1,2-diamine
SMILESCN(Cc1ccc(Cl)s1)C(CN)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H15Cl3N2S/c1-19(8-9-5-6-13(16)20-9)12(7-18)10-3-2-4-11(15)14(10)17/h2-6,12H,7-8,18H2,1H3
InChIKeyIKRZXQMQFRCSSW-UHFFFAOYSA-N
MW349.71 g/mol
LogP4.84
Rot. Bonds5

About N-[(5-chlorothiophen-2-yl)methyl]-1-(2,3-dichlorophenyl)-N-methylethane-1,2-diamine

N-[(5-chlorothiophen-2-yl)methyl]-1-(2,3-dichlorophenyl)-N-methylethane-1,2-diamine (PubChem CID 61438735) has the molecular formula C14H15Cl3N2S and a molecular weight of 349.71 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-1-(2,3-dichlorophenyl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-1-(2,3-dichlorophenyl)-N-methylethane-1,2-diamine
PubChem CID61438735
Molecular FormulaC14H15Cl3N2S
Molecular Weight349.71 g/mol
Exact Mass348.00
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-1-(2,3-dichlorophenyl)-N-methylethane-1,2-diamine
SMILESCN(Cc1ccc(Cl)s1)C(CN)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H15Cl3N2S/c1-19(8-9-5-6-13(16)20-9)12(7-18)10-3-2-4-11(15)14(10)17/h2-6,12H,7-8,18H2,1H3
InChIKeyIKRZXQMQFRCSSW-UHFFFAOYSA-N
XLogP4.84
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.71
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-1-(2,6-difluorophenyl)-N-methylethane-1,2-diamine
CID 61438787
N-[(5-chlorothiophen-2-yl)methyl]-1-(furan-2-yl)-N-methylethane-1,2-diamine
CID 61438216
N-[(5-chlorothiophen-2-yl)methyl]-1-(3-ethoxyphenyl)-N-methylethane-1,2-diamine
CID 61438444
N-[(5-chlorothiophen-2-yl)methyl]-1-(3,4-difluorophenyl)-N-methylethane-1,2-diamine
CID 61438832
1-(2,3-dichlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)ethane-1,2-diamine
CID 60915259
2-N-[(5-chlorothiophen-2-yl)methyl]-2-N,4-dimethylpentane-1,2-diamine
CID 61438169
2-N-[(5-chlorothiophen-2-yl)methyl]-2-N,3-dimethylpentane-1,2-diamine
CID 61438257
N-[(5-chlorothiophen-2-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine
CID 61438347
N-[(5-chlorothiophen-2-yl)methyl]-1-(3-fluoro-4-methoxyphenyl)-N-methylethane-1,2-diamine
CID 65096619
N'-[(5-chlorothiophen-2-yl)methyl]-N'-methyl-2-phenylpropane-1,3-diamine
CID 61438822
N'-[(5-chlorothiophen-2-yl)methyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 65232938
2-N-[(5-chlorothiophen-2-yl)methyl]-1-N-ethyl-2-N-methylpropane-1,2-diamine
CID 62429792

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-1-(2,3-dichlorophenyl)-N-methylethane-1,2-diamine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-1-(2,3-dichlorophenyl)-N-methylethane-1,2-diamine (CID 61438735) is N-[(5-chlorothiophen-2-yl)methyl]-1-(2,3-dichlorophenyl)-N-methylethane-1,2-diamine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-1-(2,3-dichlorophenyl)-N-methylethane-1,2-diamine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-1-(2,3-dichlorophenyl)-N-methylethane-1,2-diamine is CN(Cc1ccc(Cl)s1)C(CN)c1cccc(Cl)c1Cl.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-1-(2,3-dichlorophenyl)-N-methylethane-1,2-diamine?
The InChIKey is IKRZXQMQFRCSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl3N2S/c1-19(8-9-5-6-13(16)20-9)12(7-18)10-3-2-4-11(15)14(10)17/h2-6,12H,7-8,18H2,1H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-1-(2,3-dichlorophenyl)-N-methylethane-1,2-diamine?
N-[(5-chlorothiophen-2-yl)methyl]-1-(2,3-dichlorophenyl)-N-methylethane-1,2-diamine has a molecular weight of 349.71 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-1-(2,3-dichlorophenyl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 61438735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).