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

C15H19NS — CID 71092063

IUPAC(1R)-N-methyl-1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)ethanamine
SMILESCc1ccc([C@@H](C)N(C)Cc2cccs2)cc1
InChIInChI=1S/C15H19NS/c1-12-6-8-14(9-7-12)13(2)16(3)11-15-5-4-10-17-15/h4-10,13H,11H2,1-3H3/t13-/m1/s1
InChIKeyPGZMQTRGVSNNAY-CYBMUJFWSA-N
MW245.39 g/mol
LogP4.25
Rot. Bonds4

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

(1R)-N-methyl-1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)ethanamine (PubChem CID 71092063) has the molecular formula C15H19NS and a molecular weight of 245.39 g/mol. Its IUPAC name is (1R)-N-methyl-1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-methyl-1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)ethanamine
PubChem CID71092063
Molecular FormulaC15H19NS
Molecular Weight245.39 g/mol
Exact Mass245.12
IUPAC Name(1R)-N-methyl-1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)ethanamine
SMILESCc1ccc([C@@H](C)N(C)Cc2cccs2)cc1
InChIInChI=1S/C15H19NS/c1-12-6-8-14(9-7-12)13(2)16(3)11-15-5-4-10-17-15/h4-10,13H,11H2,1-3H3/t13-/m1/s1
InChIKeyPGZMQTRGVSNNAY-CYBMUJFWSA-N
XLogP4.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(4-ethylphenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethanamine
CID 70906118
N,N'-dimethyl-1-(4-methylphenyl)-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62618052
3-[methyl(thiophen-2-ylmethyl)amino]-3-phenylpropan-1-ol
CID 75514970
1-(4-methylphenyl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone
CID 60650537
N-ethyl-2-hydroxy-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)butanamide
CID 155945653
3-methyl-2-[methyl(thiophen-2-ylmethyl)amino]butanoic acid
CID 43527695
2-[2-(4-methylphenyl)ethyl]thiophene
CID 10488340
N-methyl-1-(4-propan-2-yloxyphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 60917484
2-amino-N-methyl-2-(4-methylphenyl)-N-(2-thiophen-2-ylethyl)acetamide
CID 106151574
1-N-cyclopropyl-3-N-methyl-3-N-(thiophen-2-ylmethyl)butane-1,3-diamine
CID 62420794
N'-(1-phenylethyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 112501735
2-amino-N-methyl-2-(4-methylphenyl)-N-(1-thiophen-2-ylpropan-2-yl)acetamide
CID 106312517

Frequently Asked Questions

What is the IUPAC name of (1R)-N-methyl-1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)ethanamine?
The IUPAC name of (1R)-N-methyl-1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)ethanamine (CID 71092063) is (1R)-N-methyl-1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)ethanamine.
What is the SMILES notation for (1R)-N-methyl-1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)ethanamine?
The canonical SMILES for (1R)-N-methyl-1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)ethanamine is Cc1ccc([C@@H](C)N(C)Cc2cccs2)cc1.
What is the InChIKey of (1R)-N-methyl-1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)ethanamine?
The InChIKey is PGZMQTRGVSNNAY-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H19NS/c1-12-6-8-14(9-7-12)13(2)16(3)11-15-5-4-10-17-15/h4-10,13H,11H2,1-3H3/t13-/m1/s1.
What are the key properties of (1R)-N-methyl-1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)ethanamine?
(1R)-N-methyl-1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)ethanamine has a molecular weight of 245.39 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-methyl-1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)ethanamine is sourced from PubChem (CID 71092063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).