1-N-methyl-3-phenyl-1-N-(2-thiophen-2-ylethyl)propane-1,2-diamine

C16H22N2S — CID 79487965

IUPAC1-N-methyl-3-phenyl-1-N-(2-thiophen-2-ylethyl)propane-1,2-diamine
SMILESCN(CCc1cccs1)CC(N)Cc1ccccc1
InChIInChI=1S/C16H22N2S/c1-18(10-9-16-8-5-11-19-16)13-15(17)12-14-6-3-2-4-7-14/h2-8,11,15H,9-10,12-13,17H2,1H3
InChIKeyCNNUNRCLGPGWFL-UHFFFAOYSA-N
MW274.43 g/mol
LogP2.79
Rot. Bonds7

About 1-N-methyl-3-phenyl-1-N-(2-thiophen-2-ylethyl)propane-1,2-diamine

1-N-methyl-3-phenyl-1-N-(2-thiophen-2-ylethyl)propane-1,2-diamine (PubChem CID 79487965) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 1-N-methyl-3-phenyl-1-N-(2-thiophen-2-ylethyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-3-phenyl-1-N-(2-thiophen-2-ylethyl)propane-1,2-diamine
PubChem CID79487965
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC Name1-N-methyl-3-phenyl-1-N-(2-thiophen-2-ylethyl)propane-1,2-diamine
SMILESCN(CCc1cccs1)CC(N)Cc1ccccc1
InChIInChI=1S/C16H22N2S/c1-18(10-9-16-8-5-11-19-16)13-15(17)12-14-6-3-2-4-7-14/h2-8,11,15H,9-10,12-13,17H2,1H3
InChIKeyCNNUNRCLGPGWFL-UHFFFAOYSA-N
XLogP2.79
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-methyl-4-phenyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 114929524
(2R)-2-amino-N-methyl-3-phenyl-N-(2-thiophen-2-ylethyl)propanamide
CID 79494737
(2S)-1-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
CID 94254566
N-methyl-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride
CID 3065791
2-bromo-N-methyl-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 80668223
1-N-methyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 43649767
1-N,1-N-dimethyl-5-thiophen-2-ylpentane-1,3-diamine
CID 115346068
1-chloro-3-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
CID 112561777
2,2-diethoxy-N-methyl-N-(2-thiophen-2-ylethyl)ethanamine
CID 79486334
1-N-methyl-1-N-(3-methylsulfanylpropyl)-3-phenylpropane-1,2-diamine
CID 114237563
N-methyl-3-phenyl-2-sulfanyl-N-(2-thiophen-2-ylethyl)propanamide
CID 107032185
2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]aniline
CID 63774945

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-3-phenyl-1-N-(2-thiophen-2-ylethyl)propane-1,2-diamine?
The IUPAC name of 1-N-methyl-3-phenyl-1-N-(2-thiophen-2-ylethyl)propane-1,2-diamine (CID 79487965) is 1-N-methyl-3-phenyl-1-N-(2-thiophen-2-ylethyl)propane-1,2-diamine.
What is the SMILES notation for 1-N-methyl-3-phenyl-1-N-(2-thiophen-2-ylethyl)propane-1,2-diamine?
The canonical SMILES for 1-N-methyl-3-phenyl-1-N-(2-thiophen-2-ylethyl)propane-1,2-diamine is CN(CCc1cccs1)CC(N)Cc1ccccc1.
What is the InChIKey of 1-N-methyl-3-phenyl-1-N-(2-thiophen-2-ylethyl)propane-1,2-diamine?
The InChIKey is CNNUNRCLGPGWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-18(10-9-16-8-5-11-19-16)13-15(17)12-14-6-3-2-4-7-14/h2-8,11,15H,9-10,12-13,17H2,1H3.
What are the key properties of 1-N-methyl-3-phenyl-1-N-(2-thiophen-2-ylethyl)propane-1,2-diamine?
1-N-methyl-3-phenyl-1-N-(2-thiophen-2-ylethyl)propane-1,2-diamine has a molecular weight of 274.43 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-3-phenyl-1-N-(2-thiophen-2-ylethyl)propane-1,2-diamine is sourced from PubChem (CID 79487965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).