N-methyl-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride

C14H18ClNS — CID 3065791

IUPACN-methyl-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride
SMILESCN(CCc1ccccc1)Cc1cccs1.Cl
InChIInChI=1S/C14H17NS.ClH/c1-15(12-14-8-5-11-16-14)10-9-13-6-3-2-4-7-13;/h2-8,11H,9-10,12H2,1H3;1H
InChIKeyMXGUDVRUSQGUKI-UHFFFAOYSA-N
MW267.83 g/mol
LogP3.84
Rot. Bonds5

About N-methyl-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride

N-methyl-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride (PubChem CID 3065791) has the molecular formula C14H18ClNS and a molecular weight of 267.83 g/mol. Its IUPAC name is N-methyl-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride
PubChem CID3065791
Molecular FormulaC14H18ClNS
Molecular Weight267.83 g/mol
Exact Mass267.08
IUPAC NameN-methyl-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride
SMILESCN(CCc1ccccc1)Cc1cccs1.Cl
InChIInChI=1S/C14H17NS.ClH/c1-15(12-14-8-5-11-16-14)10-9-13-6-3-2-4-7-13;/h2-8,11H,9-10,12H2,1H3;1H
InChIKeyMXGUDVRUSQGUKI-UHFFFAOYSA-N
XLogP3.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.83
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-methyl-4-phenyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 114929524
N-[(2-chlorophenyl)methyl]-N-methyl-2-thiophen-2-ylethanamine;hydrochloride
CID 71750260
1-N-methyl-3-phenyl-1-N-(2-thiophen-2-ylethyl)propane-1,2-diamine
CID 79487965
4-[methyl(thiophen-2-ylmethyl)amino]butan-2-one
CID 60648007
N-methyl-2-methylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine
CID 123818114
N,N-dimethyl-2-thiophen-2-ylethanamine;hydrochloride
CID 19760547
4-bromo-N-methyl-N-(thiophen-2-ylmethyl)butan-1-amine
CID 61287126
2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]aniline
CID 63774945
N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine
CID 78989434
N-(chloromethyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 115263126
N-tert-butyl-2-[methyl-[2-oxo-2-[2-phenylethyl(thiophen-2-ylmethyl)amino]ethyl]amino]acetamide
CID 8768453
N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)ethanamine
CID 3817841

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride?
The IUPAC name of N-methyl-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride (CID 3065791) is N-methyl-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride.
What is the SMILES notation for N-methyl-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride?
The canonical SMILES for N-methyl-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride is CN(CCc1ccccc1)Cc1cccs1.Cl.
What is the InChIKey of N-methyl-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride?
The InChIKey is MXGUDVRUSQGUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NS.ClH/c1-15(12-14-8-5-11-16-14)10-9-13-6-3-2-4-7-13;/h2-8,11H,9-10,12H2,1H3;1H.
What are the key properties of N-methyl-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride?
N-methyl-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride has a molecular weight of 267.83 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride is sourced from PubChem (CID 3065791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).