N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine

C18H26N2S — CID 43110308

IUPACN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine
SMILESCc1cc(C(C)NC(CN(C)C)c2ccccc2)c(C)s1
InChIInChI=1S/C18H26N2S/c1-13-11-17(15(3)21-13)14(2)19-18(12-20(4)5)16-9-7-6-8-10-16/h6-11,14,18-19H,12H2,1-5H3
InChIKeyNKCHFLIGBDMZGF-UHFFFAOYSA-N
MW302.49 g/mol
LogP4.32
Rot. Bonds6

About N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine

N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine (PubChem CID 43110308) has the molecular formula C18H26N2S and a molecular weight of 302.49 g/mol. Its IUPAC name is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine
PubChem CID43110308
Molecular FormulaC18H26N2S
Molecular Weight302.49 g/mol
Exact Mass302.18
IUPAC NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine
SMILESCc1cc(C(C)NC(CN(C)C)c2ccccc2)c(C)s1
InChIInChI=1S/C18H26N2S/c1-13-11-17(15(3)21-13)14(2)19-18(12-20(4)5)16-9-7-6-8-10-16/h6-11,14,18-19H,12H2,1-5H3
InChIKeyNKCHFLIGBDMZGF-UHFFFAOYSA-N
XLogP4.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N',N'-dimethyl-N-[1-(3-methylphenyl)ethyl]-1-phenylethane-1,2-diamine
CID 43768398
1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea
CID 110895795
N-[1-(4-iodophenyl)ethyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 43768392
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-2-amine
CID 43200633
N-butan-2-yl-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 43203953
(1R)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 81367633
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1-thiophen-2-ylethanamine
CID 43206081
N-(1-ethylsulfonylpropan-2-yl)-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 115900683
(2R)-2-phenyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]ethanol
CID 103788833
1-(1-benzothiophen-2-yl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]ethanamine
CID 114909767
1-N,1-N,3-trimethyl-2-N-(1-phenylethyl)butane-1,2-diamine
CID 54954174
2-chloro-4-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1-N,1-N-dimethylbenzene-1,4-diamine
CID 63451348

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine?
The IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine (CID 43110308) is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine.
What is the SMILES notation for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine?
The canonical SMILES for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine is Cc1cc(C(C)NC(CN(C)C)c2ccccc2)c(C)s1.
What is the InChIKey of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine?
The InChIKey is NKCHFLIGBDMZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2S/c1-13-11-17(15(3)21-13)14(2)19-18(12-20(4)5)16-9-7-6-8-10-16/h6-11,14,18-19H,12H2,1-5H3.
What are the key properties of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine?
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine has a molecular weight of 302.49 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine is sourced from PubChem (CID 43110308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).