N-[(2-chloro-3-methylphenyl)-(2-methylthiophen-3-yl)methyl]ethanamine

C15H18ClNS — CID 102842157

IUPACN-[(2-chloro-3-methylphenyl)-(2-methylthiophen-3-yl)methyl]ethanamine
SMILESCCNC(c1ccsc1C)c1cccc(C)c1Cl
InChIInChI=1S/C15H18ClNS/c1-4-17-15(12-8-9-18-11(12)3)13-7-5-6-10(2)14(13)16/h5-9,15,17H,4H2,1-3H3
InChIKeyLSJFDJSOPCNLOM-UHFFFAOYSA-N
MW279.84 g/mol
LogP4.72
Rot. Bonds4

About N-[(2-chloro-3-methylphenyl)-(2-methylthiophen-3-yl)methyl]ethanamine

N-[(2-chloro-3-methylphenyl)-(2-methylthiophen-3-yl)methyl]ethanamine (PubChem CID 102842157) has the molecular formula C15H18ClNS and a molecular weight of 279.84 g/mol. Its IUPAC name is N-[(2-chloro-3-methylphenyl)-(2-methylthiophen-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-chloro-3-methylphenyl)-(2-methylthiophen-3-yl)methyl]ethanamine
PubChem CID102842157
Molecular FormulaC15H18ClNS
Molecular Weight279.84 g/mol
Exact Mass279.08
IUPAC NameN-[(2-chloro-3-methylphenyl)-(2-methylthiophen-3-yl)methyl]ethanamine
SMILESCCNC(c1ccsc1C)c1cccc(C)c1Cl
InChIInChI=1S/C15H18ClNS/c1-4-17-15(12-8-9-18-11(12)3)13-7-5-6-10(2)14(13)16/h5-9,15,17H,4H2,1-3H3
InChIKeyLSJFDJSOPCNLOM-UHFFFAOYSA-N
XLogP4.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.84
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chloro-3-methylphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 115792936
N-[(2-chloro-3-fluorophenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 102841296
N-[(2-chloro-3-methylphenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine
CID 105006456
(2-chloro-3-methylphenyl)-(2-methylthiophen-3-yl)methanamine
CID 102841186
N-[2,3-dihydro-1,4-benzodioxin-5-yl-(2-methylthiophen-3-yl)methyl]ethanamine
CID 102841110
N-[bis(2,3-dichlorophenyl)methyl]ethanamine
CID 115851351
N-[(2-chloro-3-methylphenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 115816038
N-[(2-methylthiophen-3-yl)-(2,3,4,5,6-pentafluorophenyl)methyl]ethanamine
CID 102841738
N-[(2,5-dimethylfuran-3-yl)-(2-methylthiophen-3-yl)methyl]ethanamine
CID 102842041
1-(2-chloro-3-methylphenyl)-N-ethylbutan-1-amine
CID 114982245
N-[(2-methylthiophen-3-yl)-pyrimidin-5-ylmethyl]ethanamine
CID 102923988
N-[(2-methoxyphenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 102831663

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-3-methylphenyl)-(2-methylthiophen-3-yl)methyl]ethanamine?
The IUPAC name of N-[(2-chloro-3-methylphenyl)-(2-methylthiophen-3-yl)methyl]ethanamine (CID 102842157) is N-[(2-chloro-3-methylphenyl)-(2-methylthiophen-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-chloro-3-methylphenyl)-(2-methylthiophen-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-chloro-3-methylphenyl)-(2-methylthiophen-3-yl)methyl]ethanamine is CCNC(c1ccsc1C)c1cccc(C)c1Cl.
What is the InChIKey of N-[(2-chloro-3-methylphenyl)-(2-methylthiophen-3-yl)methyl]ethanamine?
The InChIKey is LSJFDJSOPCNLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNS/c1-4-17-15(12-8-9-18-11(12)3)13-7-5-6-10(2)14(13)16/h5-9,15,17H,4H2,1-3H3.
What are the key properties of N-[(2-chloro-3-methylphenyl)-(2-methylthiophen-3-yl)methyl]ethanamine?
N-[(2-chloro-3-methylphenyl)-(2-methylthiophen-3-yl)methyl]ethanamine has a molecular weight of 279.84 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-3-methylphenyl)-(2-methylthiophen-3-yl)methyl]ethanamine is sourced from PubChem (CID 102842157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).