(1R)-1-(2-methylphenyl)-N-(2-thiophen-3-ylethyl)ethanamine

C15H19NS — CID 81375407

IUPAC(1R)-1-(2-methylphenyl)-N-(2-thiophen-3-ylethyl)ethanamine
SMILESCc1ccccc1[C@@H](C)NCCc1ccsc1
InChIInChI=1S/C15H19NS/c1-12-5-3-4-6-15(12)13(2)16-9-7-14-8-10-17-11-14/h3-6,8,10-11,13,16H,7,9H2,1-2H3/t13-/m1/s1
InChIKeyMQNBISABKVJVAH-CYBMUJFWSA-N
MW245.39 g/mol
LogP3.95
Rot. Bonds5

About (1R)-1-(2-methylphenyl)-N-(2-thiophen-3-ylethyl)ethanamine

(1R)-1-(2-methylphenyl)-N-(2-thiophen-3-ylethyl)ethanamine (PubChem CID 81375407) has the molecular formula C15H19NS and a molecular weight of 245.39 g/mol. Its IUPAC name is (1R)-1-(2-methylphenyl)-N-(2-thiophen-3-ylethyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(2-methylphenyl)-N-(2-thiophen-3-ylethyl)ethanamine
PubChem CID81375407
Molecular FormulaC15H19NS
Molecular Weight245.39 g/mol
Exact Mass245.12
IUPAC Name(1R)-1-(2-methylphenyl)-N-(2-thiophen-3-ylethyl)ethanamine
SMILESCc1ccccc1[C@@H](C)NCCc1ccsc1
InChIInChI=1S/C15H19NS/c1-12-5-3-4-6-15(12)13(2)16-9-7-14-8-10-17-11-14/h3-6,8,10-11,13,16H,7,9H2,1-2H3/t13-/m1/s1
InChIKeyMQNBISABKVJVAH-CYBMUJFWSA-N
XLogP3.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylphenyl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 54941173
2-[1-(2-thiophen-3-ylethylamino)ethyl]naphthalen-1-ol
CID 61474992
1-(5-methylfuran-2-yl)-N-(2-thiophen-3-ylethyl)ethanamine
CID 61474918
4-[1-(2-thiophen-3-ylethylamino)ethyl]phenol
CID 54953254
N-benzhydryl-2-thiophen-3-ylethanamine
CID 61474886
1-(4-bromo-2-chlorophenyl)-N-(2-thiophen-3-ylethyl)ethanamine
CID 82773429
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 43823384
1-(3-bromothiophen-2-yl)-N-(2-thiophen-3-ylethyl)ethanamine
CID 61474936
N,N-dimethyl-4-[1-(2-thiophen-3-ylethylamino)ethyl]aniline
CID 61474895
N-[(1R)-1-(2-methylphenyl)ethyl]-3-methylsulfanylpropan-1-amine
CID 28653117
N-[1-(2-methylphenyl)ethyl]-3-methylsulfanylpropan-1-amine
CID 43181577
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(2-methylphenyl)ethanamine
CID 43824553

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-methylphenyl)-N-(2-thiophen-3-ylethyl)ethanamine?
The IUPAC name of (1R)-1-(2-methylphenyl)-N-(2-thiophen-3-ylethyl)ethanamine (CID 81375407) is (1R)-1-(2-methylphenyl)-N-(2-thiophen-3-ylethyl)ethanamine.
What is the SMILES notation for (1R)-1-(2-methylphenyl)-N-(2-thiophen-3-ylethyl)ethanamine?
The canonical SMILES for (1R)-1-(2-methylphenyl)-N-(2-thiophen-3-ylethyl)ethanamine is Cc1ccccc1[C@@H](C)NCCc1ccsc1.
What is the InChIKey of (1R)-1-(2-methylphenyl)-N-(2-thiophen-3-ylethyl)ethanamine?
The InChIKey is MQNBISABKVJVAH-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H19NS/c1-12-5-3-4-6-15(12)13(2)16-9-7-14-8-10-17-11-14/h3-6,8,10-11,13,16H,7,9H2,1-2H3/t13-/m1/s1.
What are the key properties of (1R)-1-(2-methylphenyl)-N-(2-thiophen-3-ylethyl)ethanamine?
(1R)-1-(2-methylphenyl)-N-(2-thiophen-3-ylethyl)ethanamine has a molecular weight of 245.39 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-methylphenyl)-N-(2-thiophen-3-ylethyl)ethanamine is sourced from PubChem (CID 81375407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).