(1S)-N-[(5-ethylthiophen-2-yl)methyl]-1-(2-methylphenyl)ethanamine

C16H21NS — CID 81375029

IUPAC(1S)-N-[(5-ethylthiophen-2-yl)methyl]-1-(2-methylphenyl)ethanamine
SMILESCCc1ccc(CN[C@@H](C)c2ccccc2C)s1
InChIInChI=1S/C16H21NS/c1-4-14-9-10-15(18-14)11-17-13(3)16-8-6-5-7-12(16)2/h5-10,13,17H,4,11H2,1-3H3/t13-/m0/s1
InChIKeyVBRAUKZXZMWVOK-ZDUSSCGKSA-N
MW259.42 g/mol
LogP4.47
Rot. Bonds5

About (1S)-N-[(5-ethylthiophen-2-yl)methyl]-1-(2-methylphenyl)ethanamine

(1S)-N-[(5-ethylthiophen-2-yl)methyl]-1-(2-methylphenyl)ethanamine (PubChem CID 81375029) has the molecular formula C16H21NS and a molecular weight of 259.42 g/mol. Its IUPAC name is (1S)-N-[(5-ethylthiophen-2-yl)methyl]-1-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[(5-ethylthiophen-2-yl)methyl]-1-(2-methylphenyl)ethanamine
PubChem CID81375029
Molecular FormulaC16H21NS
Molecular Weight259.42 g/mol
Exact Mass259.14
IUPAC Name(1S)-N-[(5-ethylthiophen-2-yl)methyl]-1-(2-methylphenyl)ethanamine
SMILESCCc1ccc(CN[C@@H](C)c2ccccc2C)s1
InChIInChI=1S/C16H21NS/c1-4-14-9-10-15(18-14)11-17-13(3)16-8-6-5-7-12(16)2/h5-10,13,17H,4,11H2,1-3H3/t13-/m0/s1
InChIKeyVBRAUKZXZMWVOK-ZDUSSCGKSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-N-[(5-chlorothiophen-2-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 28653095
5-[[[(1S)-1-(2-methylphenyl)ethyl]amino]methyl]thiophene-2-carbonitrile
CID 104865144
(1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 81374720
(1R)-1-(2-methylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 81373323
2-[1-[(5-ethylthiophen-2-yl)methylamino]ethyl]-5-methylphenol
CID 104581798
N-[(5-ethylthiophen-2-yl)methyl]-1-thiophen-2-ylethanamine
CID 43534521
N-[(4-bromothiophen-2-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 43085346
1-(2,6-difluorophenyl)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine
CID 62346262
1-phenyl-N-[[5-[(1-phenylethylamino)methyl]thiophen-2-yl]methyl]ethanamine
CID 78022429
1-(2-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 43180928
1-(4-ethoxyphenyl)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine
CID 62345553
4-[1-[(5-ethylthiophen-2-yl)methylamino]ethyl]phenol
CID 114136812

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(5-ethylthiophen-2-yl)methyl]-1-(2-methylphenyl)ethanamine?
The IUPAC name of (1S)-N-[(5-ethylthiophen-2-yl)methyl]-1-(2-methylphenyl)ethanamine (CID 81375029) is (1S)-N-[(5-ethylthiophen-2-yl)methyl]-1-(2-methylphenyl)ethanamine.
What is the SMILES notation for (1S)-N-[(5-ethylthiophen-2-yl)methyl]-1-(2-methylphenyl)ethanamine?
The canonical SMILES for (1S)-N-[(5-ethylthiophen-2-yl)methyl]-1-(2-methylphenyl)ethanamine is CCc1ccc(CN[C@@H](C)c2ccccc2C)s1.
What is the InChIKey of (1S)-N-[(5-ethylthiophen-2-yl)methyl]-1-(2-methylphenyl)ethanamine?
The InChIKey is VBRAUKZXZMWVOK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21NS/c1-4-14-9-10-15(18-14)11-17-13(3)16-8-6-5-7-12(16)2/h5-10,13,17H,4,11H2,1-3H3/t13-/m0/s1.
What are the key properties of (1S)-N-[(5-ethylthiophen-2-yl)methyl]-1-(2-methylphenyl)ethanamine?
(1S)-N-[(5-ethylthiophen-2-yl)methyl]-1-(2-methylphenyl)ethanamine has a molecular weight of 259.42 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(5-ethylthiophen-2-yl)methyl]-1-(2-methylphenyl)ethanamine is sourced from PubChem (CID 81375029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).