N'-[(3-methylthiophen-2-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride

C16H23ClN2S — CID 120912634

IUPACN'-[(3-methylthiophen-2-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
SMILESCc1ccsc1CN(CCN)CCc1ccccc1.Cl
InChIInChI=1S/C16H22N2S.ClH/c1-14-8-12-19-16(14)13-18(11-9-17)10-7-15-5-3-2-4-6-15;/h2-6,8,12H,7,9-11,13,17H2,1H3;1H
InChIKeyODTZQVFVZATDRD-UHFFFAOYSA-N
MW310.89 g/mol
LogP3.48
Rot. Bonds7

About N'-[(3-methylthiophen-2-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride

N'-[(3-methylthiophen-2-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride (PubChem CID 120912634) has the molecular formula C16H23ClN2S and a molecular weight of 310.89 g/mol. Its IUPAC name is N'-[(3-methylthiophen-2-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride.

Molecular Properties

Compound NameN'-[(3-methylthiophen-2-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
PubChem CID120912634
Molecular FormulaC16H23ClN2S
Molecular Weight310.89 g/mol
Exact Mass310.13
IUPAC NameN'-[(3-methylthiophen-2-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
SMILESCc1ccsc1CN(CCN)CCc1ccccc1.Cl
InChIInChI=1S/C16H22N2S.ClH/c1-14-8-12-19-16(14)13-18(11-9-17)10-7-15-5-3-2-4-6-15;/h2-6,8,12H,7,9-11,13,17H2,1H3;1H
InChIKeyODTZQVFVZATDRD-UHFFFAOYSA-N
XLogP3.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.89
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[(3-methoxythiophen-2-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120912912
N'-[(3-methoxythiophen-2-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
CID 120912913
N'-benzyl-N'-[(3-methylthiophen-2-yl)methyl]propane-1,3-diamine
CID 107364753
2-[2-aminoethyl(2-phenylethyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 120872602
N'-(2-phenylethyl)-N'-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine
CID 120912532
N'-(2-ethylsulfonylethyl)-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120871608
N'-[(1,3-dimethylpyrazol-4-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120913021
N'-[(3-methylimidazol-4-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
CID 120913006
N',N'-dibenzylethane-1,2-diamine;hydrochloride
CID 6460674
N'-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120912627
N'-(2-methoxyethyl)-N'-(2-phenylethyl)ethane-1,2-diamine
CID 115869763
N'-[(2,4-difluorophenyl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120871833

Frequently Asked Questions

What is the IUPAC name of N'-[(3-methylthiophen-2-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride?
The IUPAC name of N'-[(3-methylthiophen-2-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride (CID 120912634) is N'-[(3-methylthiophen-2-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride.
What is the SMILES notation for N'-[(3-methylthiophen-2-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride?
The canonical SMILES for N'-[(3-methylthiophen-2-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride is Cc1ccsc1CN(CCN)CCc1ccccc1.Cl.
What is the InChIKey of N'-[(3-methylthiophen-2-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride?
The InChIKey is ODTZQVFVZATDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S.ClH/c1-14-8-12-19-16(14)13-18(11-9-17)10-7-15-5-3-2-4-6-15;/h2-6,8,12H,7,9-11,13,17H2,1H3;1H.
What are the key properties of N'-[(3-methylthiophen-2-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride?
N'-[(3-methylthiophen-2-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride has a molecular weight of 310.89 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-methylthiophen-2-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride is sourced from PubChem (CID 120912634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).