N-methyl-1-(4-propan-2-ylphenyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine

C18H26N2S — CID 79472526

IUPACN-methyl-1-(4-propan-2-ylphenyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
SMILESCC(C)c1ccc(C(CN)N(C)CCc2cccs2)cc1
InChIInChI=1S/C18H26N2S/c1-14(2)15-6-8-16(9-7-15)18(13-19)20(3)11-10-17-5-4-12-21-17/h4-9,12,14,18H,10-11,13,19H2,1-3H3
InChIKeyDCJHPXMNCILZTD-UHFFFAOYSA-N
MW302.49 g/mol
LogP4.05
Rot. Bonds7

About N-methyl-1-(4-propan-2-ylphenyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine

N-methyl-1-(4-propan-2-ylphenyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine (PubChem CID 79472526) has the molecular formula C18H26N2S and a molecular weight of 302.49 g/mol. Its IUPAC name is N-methyl-1-(4-propan-2-ylphenyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-1-(4-propan-2-ylphenyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
PubChem CID79472526
Molecular FormulaC18H26N2S
Molecular Weight302.49 g/mol
Exact Mass302.18
IUPAC NameN-methyl-1-(4-propan-2-ylphenyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
SMILESCC(C)c1ccc(C(CN)N(C)CCc2cccs2)cc1
InChIInChI=1S/C18H26N2S/c1-14(2)15-6-8-16(9-7-15)18(13-19)20(3)11-10-17-5-4-12-21-17/h4-9,12,14,18H,10-11,13,19H2,1-3H3
InChIKeyDCJHPXMNCILZTD-UHFFFAOYSA-N
XLogP4.05
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-N-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 79471465
N-methyl-1-(4-propan-2-yloxyphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 60917484
1-(2,5-difluorophenyl)-N-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 79475845
2-N,3-dimethyl-2-N-(2-thiophen-2-ylethyl)hexane-1,2-diamine
CID 79476641
N,N'-dimethyl-1-phenyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 79494234
1-(4-cyclopropylphenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 79984334
1-[2-(methoxymethyl)phenyl]-N-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 79471274
1-(3,4-difluorophenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 43527395
N-methyl-N-pentyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 43294635
1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 115990044
2-[methyl(2-thiophen-2-ylethyl)amino]propanoic acid
CID 63773850
2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-thiophen-2-ylethyl)propane-1,2-diamine
CID 79494546

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-propan-2-ylphenyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine?
The IUPAC name of N-methyl-1-(4-propan-2-ylphenyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine (CID 79472526) is N-methyl-1-(4-propan-2-ylphenyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine.
What is the SMILES notation for N-methyl-1-(4-propan-2-ylphenyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine?
The canonical SMILES for N-methyl-1-(4-propan-2-ylphenyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine is CC(C)c1ccc(C(CN)N(C)CCc2cccs2)cc1.
What is the InChIKey of N-methyl-1-(4-propan-2-ylphenyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine?
The InChIKey is DCJHPXMNCILZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2S/c1-14(2)15-6-8-16(9-7-15)18(13-19)20(3)11-10-17-5-4-12-21-17/h4-9,12,14,18H,10-11,13,19H2,1-3H3.
What are the key properties of N-methyl-1-(4-propan-2-ylphenyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine?
N-methyl-1-(4-propan-2-ylphenyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine has a molecular weight of 302.49 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-propan-2-ylphenyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine is sourced from PubChem (CID 79472526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).