(1R)-N-[(5-chlorothiophen-2-yl)methyl]-1-(2-methylphenyl)ethanamine

C14H16ClNS — CID 28653095

IUPAC(1R)-N-[(5-chlorothiophen-2-yl)methyl]-1-(2-methylphenyl)ethanamine
SMILESCc1ccccc1[C@@H](C)NCc1ccc(Cl)s1
InChIInChI=1S/C14H16ClNS/c1-10-5-3-4-6-13(10)11(2)16-9-12-7-8-14(15)17-12/h3-8,11,16H,9H2,1-2H3/t11-/m1/s1
InChIKeyIDZJAIJPPUTHCO-LLVKDONJSA-N
MW265.81 g/mol
LogP4.56
Rot. Bonds4

About (1R)-N-[(5-chlorothiophen-2-yl)methyl]-1-(2-methylphenyl)ethanamine

(1R)-N-[(5-chlorothiophen-2-yl)methyl]-1-(2-methylphenyl)ethanamine (PubChem CID 28653095) has the molecular formula C14H16ClNS and a molecular weight of 265.81 g/mol. Its IUPAC name is (1R)-N-[(5-chlorothiophen-2-yl)methyl]-1-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[(5-chlorothiophen-2-yl)methyl]-1-(2-methylphenyl)ethanamine
PubChem CID28653095
Molecular FormulaC14H16ClNS
Molecular Weight265.81 g/mol
Exact Mass265.07
IUPAC Name(1R)-N-[(5-chlorothiophen-2-yl)methyl]-1-(2-methylphenyl)ethanamine
SMILESCc1ccccc1[C@@H](C)NCc1ccc(Cl)s1
InChIInChI=1S/C14H16ClNS/c1-10-5-3-4-6-13(10)11(2)16-9-12-7-8-14(15)17-12/h3-8,11,16H,9H2,1-2H3/t11-/m1/s1
InChIKeyIDZJAIJPPUTHCO-LLVKDONJSA-N
XLogP4.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.81
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-N-[(5-ethylthiophen-2-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 81375029
N-[(5-chlorothiophen-2-yl)methyl]-1-phenylethanamine
CID 43179335
(1S)-N-[(5-chlorothiophen-2-yl)methyl]-1-phenylethanamine
CID 28564868
5-[[[(1S)-1-(2-methylphenyl)ethyl]amino]methyl]thiophene-2-carbonitrile
CID 104865144
(1S)-N-[(5-chlorothiophen-2-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 81356848
N-[(5-chlorothiophen-2-yl)methyl]-2-(2-methylphenyl)propan-1-imine
CID 155140862
(1R)-1-(2-methylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 81373323
(1S)-N-[(5-bromothiophen-2-yl)methyl]-1-(2-chlorophenyl)ethanamine
CID 28649363
N-[(4-bromothiophen-2-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 43085346
(1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 81374720
1-(2-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 43180928
1-(2,5-dichlorothiophen-3-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 103777773

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(5-chlorothiophen-2-yl)methyl]-1-(2-methylphenyl)ethanamine?
The IUPAC name of (1R)-N-[(5-chlorothiophen-2-yl)methyl]-1-(2-methylphenyl)ethanamine (CID 28653095) is (1R)-N-[(5-chlorothiophen-2-yl)methyl]-1-(2-methylphenyl)ethanamine.
What is the SMILES notation for (1R)-N-[(5-chlorothiophen-2-yl)methyl]-1-(2-methylphenyl)ethanamine?
The canonical SMILES for (1R)-N-[(5-chlorothiophen-2-yl)methyl]-1-(2-methylphenyl)ethanamine is Cc1ccccc1[C@@H](C)NCc1ccc(Cl)s1.
What is the InChIKey of (1R)-N-[(5-chlorothiophen-2-yl)methyl]-1-(2-methylphenyl)ethanamine?
The InChIKey is IDZJAIJPPUTHCO-LLVKDONJSA-N. The full InChI is InChI=1S/C14H16ClNS/c1-10-5-3-4-6-13(10)11(2)16-9-12-7-8-14(15)17-12/h3-8,11,16H,9H2,1-2H3/t11-/m1/s1.
What are the key properties of (1R)-N-[(5-chlorothiophen-2-yl)methyl]-1-(2-methylphenyl)ethanamine?
(1R)-N-[(5-chlorothiophen-2-yl)methyl]-1-(2-methylphenyl)ethanamine has a molecular weight of 265.81 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(5-chlorothiophen-2-yl)methyl]-1-(2-methylphenyl)ethanamine is sourced from PubChem (CID 28653095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).