N-methyl-1-(4-propan-2-ylphenyl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine

C17H24N2S — CID 43528085

IUPACN-methyl-1-(4-propan-2-ylphenyl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
SMILESCC(C)c1ccc(C(CN)N(C)Cc2ccsc2)cc1
InChIInChI=1S/C17H24N2S/c1-13(2)15-4-6-16(7-5-15)17(10-18)19(3)11-14-8-9-20-12-14/h4-9,12-13,17H,10-11,18H2,1-3H3
InChIKeyJSQWCQITBOEGKJ-UHFFFAOYSA-N
MW288.46 g/mol
LogP4.00
Rot. Bonds6

About N-methyl-1-(4-propan-2-ylphenyl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine

N-methyl-1-(4-propan-2-ylphenyl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine (PubChem CID 43528085) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is N-methyl-1-(4-propan-2-ylphenyl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-1-(4-propan-2-ylphenyl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
PubChem CID43528085
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC NameN-methyl-1-(4-propan-2-ylphenyl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
SMILESCC(C)c1ccc(C(CN)N(C)Cc2ccsc2)cc1
InChIInChI=1S/C17H24N2S/c1-13(2)15-4-6-16(7-5-15)17(10-18)19(3)11-14-8-9-20-12-14/h4-9,12-13,17H,10-11,18H2,1-3H3
InChIKeyJSQWCQITBOEGKJ-UHFFFAOYSA-N
XLogP4.00
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethylphenyl)-N-methyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 43753496
1-(furan-2-yl)-N-methyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 43528156
1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 102838401
1-(3-ethylimidazol-4-yl)-N-methyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 66135725
2-N,4,4-trimethyl-2-N-(thiophen-3-ylmethyl)pentane-1,2-diamine
CID 62949476
N-methyl-1-(4-propan-2-ylphenyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 79472526
N-[(3-methoxyphenyl)methyl]-N-methyl-1-thiophen-3-ylethane-1,2-diamine
CID 61419943
2-[methyl(thiophen-3-ylmethyl)amino]propanenitrile
CID 60670408
N-cyclopropyl-1-(4-methylsulfanylphenyl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 61433474
4,4-dimethoxy-2-N-methyl-2-N-(thiophen-3-ylmethyl)butane-1,2-diamine
CID 66269559
2-N-methyl-4-methylsulfanyl-2-N-(thiophen-3-ylmethyl)butane-1,2-diamine
CID 60811268
2-N-methyl-2-N-[(4-propan-2-ylphenyl)methyl]propane-1,2-diamine;hydrochloride
CID 119924728

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-propan-2-ylphenyl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N-methyl-1-(4-propan-2-ylphenyl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine (CID 43528085) is N-methyl-1-(4-propan-2-ylphenyl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N-methyl-1-(4-propan-2-ylphenyl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N-methyl-1-(4-propan-2-ylphenyl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine is CC(C)c1ccc(C(CN)N(C)Cc2ccsc2)cc1.
What is the InChIKey of N-methyl-1-(4-propan-2-ylphenyl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine?
The InChIKey is JSQWCQITBOEGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-13(2)15-4-6-16(7-5-15)17(10-18)19(3)11-14-8-9-20-12-14/h4-9,12-13,17H,10-11,18H2,1-3H3.
What are the key properties of N-methyl-1-(4-propan-2-ylphenyl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine?
N-methyl-1-(4-propan-2-ylphenyl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine has a molecular weight of 288.46 g/mol, XLogP of 4.00, 6 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-(thiophen-3-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 43528085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).