(1R)-1-(4-methylphenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine

C15H19NS — CID 81350040

IUPAC(1R)-1-(4-methylphenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
SMILESCc1ccc([C@@H](C)NCc2sccc2C)cc1
InChIInChI=1S/C15H19NS/c1-11-4-6-14(7-5-11)13(3)16-10-15-12(2)8-9-17-15/h4-9,13,16H,10H2,1-3H3/t13-/m1/s1
InChIKeyQXZGTMCYAVXELN-CYBMUJFWSA-N
MW245.39 g/mol
LogP4.22
Rot. Bonds4

About (1R)-1-(4-methylphenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine

(1R)-1-(4-methylphenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine (PubChem CID 81350040) has the molecular formula C15H19NS and a molecular weight of 245.39 g/mol. Its IUPAC name is (1R)-1-(4-methylphenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(4-methylphenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
PubChem CID81350040
Molecular FormulaC15H19NS
Molecular Weight245.39 g/mol
Exact Mass245.12
IUPAC Name(1R)-1-(4-methylphenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
SMILESCc1ccc([C@@H](C)NCc2sccc2C)cc1
InChIInChI=1S/C15H19NS/c1-11-4-6-14(7-5-11)13(3)16-10-15-12(2)8-9-17-15/h4-9,13,16H,10H2,1-3H3/t13-/m1/s1
InChIKeyQXZGTMCYAVXELN-CYBMUJFWSA-N
XLogP4.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R)-1-(4-methylphenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine with MolForge

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Related Compounds

1-(4-fluorophenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 43180807
N-[(3-methylthiophen-2-yl)methyl]-1-(4-nitrophenyl)ethanamine
CID 79822198
1-(2,3-dihydro-1H-inden-5-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 78971653
1-(3-bromophenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 43426705
(1S)-1-(3-methoxy-4-methylsulfonylphenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 97230685
3-methyl-2-N-[(3-methylthiophen-2-yl)methyl]butane-1,2-diamine
CID 106345068
1-(1-benzofuran-2-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 43224186
2-[2-methoxy-4-[1-[(3-methylthiophen-2-yl)methylamino]ethyl]phenoxy]ethanol
CID 110908335
3-[(3-methylthiophen-2-yl)methylamino]butanenitrile
CID 78953450
1-cyclopropyl-2-methyl-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 115712849
2-amino-2-(4-methylphenyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 106151252
2-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]thiophen-3-amine
CID 81351915

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-methylphenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of (1R)-1-(4-methylphenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine (CID 81350040) is (1R)-1-(4-methylphenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(4-methylphenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(4-methylphenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine is Cc1ccc([C@@H](C)NCc2sccc2C)cc1.
What is the InChIKey of (1R)-1-(4-methylphenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine?
The InChIKey is QXZGTMCYAVXELN-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H19NS/c1-11-4-6-14(7-5-11)13(3)16-10-15-12(2)8-9-17-15/h4-9,13,16H,10H2,1-3H3/t13-/m1/s1.
What are the key properties of (1R)-1-(4-methylphenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine?
(1R)-1-(4-methylphenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine has a molecular weight of 245.39 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-methylphenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 81350040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).