N'-[(5-chlorothiophen-2-yl)methyl]-N,N-dimethyl-N'-phenylethane-1,2-diamine

C15H19ClN2S — CID 97355370

IUPACN'-[(5-chlorothiophen-2-yl)methyl]-N,N-dimethyl-N'-phenylethane-1,2-diamine
SMILESCN(C)CCN(Cc1ccc(Cl)s1)c1ccccc1
InChIInChI=1S/C15H19ClN2S/c1-17(2)10-11-18(13-6-4-3-5-7-13)12-14-8-9-15(16)19-14/h3-9H,10-12H2,1-2H3
InChIKeyYHHOEVMEVVPVEF-UHFFFAOYSA-N
MW294.85 g/mol
LogP3.97
Rot. Bonds6

About N'-[(5-chlorothiophen-2-yl)methyl]-N,N-dimethyl-N'-phenylethane-1,2-diamine

N'-[(5-chlorothiophen-2-yl)methyl]-N,N-dimethyl-N'-phenylethane-1,2-diamine (PubChem CID 97355370) has the molecular formula C15H19ClN2S and a molecular weight of 294.85 g/mol. Its IUPAC name is N'-[(5-chlorothiophen-2-yl)methyl]-N,N-dimethyl-N'-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(5-chlorothiophen-2-yl)methyl]-N,N-dimethyl-N'-phenylethane-1,2-diamine
PubChem CID97355370
Molecular FormulaC15H19ClN2S
Molecular Weight294.85 g/mol
Exact Mass294.10
IUPAC NameN'-[(5-chlorothiophen-2-yl)methyl]-N,N-dimethyl-N'-phenylethane-1,2-diamine
SMILESCN(C)CCN(Cc1ccc(Cl)s1)c1ccccc1
InChIInChI=1S/C15H19ClN2S/c1-17(2)10-11-18(13-6-4-3-5-7-13)12-14-8-9-15(16)19-14/h3-9H,10-12H2,1-2H3
InChIKeyYHHOEVMEVVPVEF-UHFFFAOYSA-N
XLogP3.97
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.85
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-[(5-chlorothiophen-2-yl)methyl]-N,N-dimethyl-N'-phenylethane-1,2-diamine?
The IUPAC name of N'-[(5-chlorothiophen-2-yl)methyl]-N,N-dimethyl-N'-phenylethane-1,2-diamine (CID 97355370) is N'-[(5-chlorothiophen-2-yl)methyl]-N,N-dimethyl-N'-phenylethane-1,2-diamine.
What is the SMILES notation for N'-[(5-chlorothiophen-2-yl)methyl]-N,N-dimethyl-N'-phenylethane-1,2-diamine?
The canonical SMILES for N'-[(5-chlorothiophen-2-yl)methyl]-N,N-dimethyl-N'-phenylethane-1,2-diamine is CN(C)CCN(Cc1ccc(Cl)s1)c1ccccc1.
What is the InChIKey of N'-[(5-chlorothiophen-2-yl)methyl]-N,N-dimethyl-N'-phenylethane-1,2-diamine?
The InChIKey is YHHOEVMEVVPVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2S/c1-17(2)10-11-18(13-6-4-3-5-7-13)12-14-8-9-15(16)19-14/h3-9H,10-12H2,1-2H3.
What are the key properties of N'-[(5-chlorothiophen-2-yl)methyl]-N,N-dimethyl-N'-phenylethane-1,2-diamine?
N'-[(5-chlorothiophen-2-yl)methyl]-N,N-dimethyl-N'-phenylethane-1,2-diamine has a molecular weight of 294.85 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5-chlorothiophen-2-yl)methyl]-N,N-dimethyl-N'-phenylethane-1,2-diamine is sourced from PubChem (CID 97355370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).