(1R)-1-(4-ethylphenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethanamine

C16H21NS — CID 70906118

IUPAC(1R)-1-(4-ethylphenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethanamine
SMILESCCc1ccc([C@@H](C)N(C)Cc2cccs2)cc1
InChIInChI=1S/C16H21NS/c1-4-14-7-9-15(10-8-14)13(2)17(3)12-16-6-5-11-18-16/h5-11,13H,4,12H2,1-3H3/t13-/m1/s1
InChIKeyIHULWFFIRSKVSV-CYBMUJFWSA-N
MW259.42 g/mol
LogP4.50
Rot. Bonds5

About (1R)-1-(4-ethylphenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethanamine

(1R)-1-(4-ethylphenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethanamine (PubChem CID 70906118) has the molecular formula C16H21NS and a molecular weight of 259.42 g/mol. Its IUPAC name is (1R)-1-(4-ethylphenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(4-ethylphenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethanamine
PubChem CID70906118
Molecular FormulaC16H21NS
Molecular Weight259.42 g/mol
Exact Mass259.14
IUPAC Name(1R)-1-(4-ethylphenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethanamine
SMILESCCc1ccc([C@@H](C)N(C)Cc2cccs2)cc1
InChIInChI=1S/C16H21NS/c1-4-14-7-9-15(10-8-14)13(2)17(3)12-16-6-5-11-18-16/h5-11,13H,4,12H2,1-3H3/t13-/m1/s1
InChIKeyIHULWFFIRSKVSV-CYBMUJFWSA-N
XLogP4.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-N-methyl-1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)ethanamine
CID 71092063
1-(4-ethylphenyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 61453425
[1-(4-ethylphenyl)-4-thiophen-2-ylbutyl]hydrazine
CID 105292889
1-N-cyclopropyl-3-N-methyl-3-N-(thiophen-2-ylmethyl)butane-1,3-diamine
CID 62420794
N-[1-(4-ethylphenyl)ethyl]-N-methylpentan-1-amine
CID 143844338
3-(4-ethylphenyl)-1-methyl-1-(thiophen-2-ylmethyl)thiourea
CID 8681181
1-N-ethyl-2-N,3-dimethyl-2-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 62421908
3-[methyl(thiophen-2-ylmethyl)amino]-3-phenylpropan-1-ol
CID 75514970
3-methyl-2-[methyl(thiophen-2-ylmethyl)amino]butanoic acid
CID 43527695
N-methyl-1-(4-propan-2-yloxyphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 60917484
2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62569823
1-(4-ethylphenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]ethanone
CID 62052839

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-ethylphenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethanamine?
The IUPAC name of (1R)-1-(4-ethylphenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethanamine (CID 70906118) is (1R)-1-(4-ethylphenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethanamine.
What is the SMILES notation for (1R)-1-(4-ethylphenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethanamine?
The canonical SMILES for (1R)-1-(4-ethylphenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethanamine is CCc1ccc([C@@H](C)N(C)Cc2cccs2)cc1.
What is the InChIKey of (1R)-1-(4-ethylphenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethanamine?
The InChIKey is IHULWFFIRSKVSV-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21NS/c1-4-14-7-9-15(10-8-14)13(2)17(3)12-16-6-5-11-18-16/h5-11,13H,4,12H2,1-3H3/t13-/m1/s1.
What are the key properties of (1R)-1-(4-ethylphenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethanamine?
(1R)-1-(4-ethylphenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethanamine has a molecular weight of 259.42 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-ethylphenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethanamine is sourced from PubChem (CID 70906118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).