N-[(3-chloro-4-methylphenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine

C15H18ClNS — CID 106816707

IUPACN-[(3-chloro-4-methylphenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
SMILESCc1ccc(C(C)NCc2ccc(C)c(Cl)c2)s1
InChIInChI=1S/C15H18ClNS/c1-10-4-6-13(8-14(10)16)9-17-12(3)15-7-5-11(2)18-15/h4-8,12,17H,9H2,1-3H3
InChIKeyDCCNFHNGAPLOOU-UHFFFAOYSA-N
MW279.84 g/mol
LogP4.87
Rot. Bonds4

About N-[(3-chloro-4-methylphenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine

N-[(3-chloro-4-methylphenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine (PubChem CID 106816707) has the molecular formula C15H18ClNS and a molecular weight of 279.84 g/mol. Its IUPAC name is N-[(3-chloro-4-methylphenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(3-chloro-4-methylphenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
PubChem CID106816707
Molecular FormulaC15H18ClNS
Molecular Weight279.84 g/mol
Exact Mass279.08
IUPAC NameN-[(3-chloro-4-methylphenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
SMILESCc1ccc(C(C)NCc2ccc(C)c(Cl)c2)s1
InChIInChI=1S/C15H18ClNS/c1-10-4-6-13(8-14(10)16)9-17-12(3)15-7-5-11(2)18-15/h4-8,12,17H,9H2,1-3H3
InChIKeyDCCNFHNGAPLOOU-UHFFFAOYSA-N
XLogP4.87
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 ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chloro-4-fluorophenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 62539090
N-[(3,4-difluorophenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 54952885
1-(5-methylthiophen-2-yl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 61472993
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 61473429
1-(5-methylthiophen-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 61473381
N-[(3-bromo-4-methylphenyl)methyl]-1-(5-chlorothiophen-2-yl)ethanamine
CID 105401219
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(5-methylthiophen-2-yl)ethanamine
CID 61473085
N-[(2,5-dichlorophenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 65316176
(1R)-N-[(3-chloro-4-methylphenyl)methyl]-1-(2-methylphenyl)ethanamine
CID 106816985
2-methoxy-4-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]phenol
CID 61473264
N-[(3-chloro-4-methylphenyl)methyl]-1-cyclopropylethanamine
CID 106816243
(1S)-N-[(3-chloro-4-methylphenyl)methyl]-1-(furan-2-yl)ethanamine
CID 106816999

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methylphenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine?
The IUPAC name of N-[(3-chloro-4-methylphenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine (CID 106816707) is N-[(3-chloro-4-methylphenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for N-[(3-chloro-4-methylphenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine?
The canonical SMILES for N-[(3-chloro-4-methylphenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine is Cc1ccc(C(C)NCc2ccc(C)c(Cl)c2)s1.
What is the InChIKey of N-[(3-chloro-4-methylphenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine?
The InChIKey is DCCNFHNGAPLOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNS/c1-10-4-6-13(8-14(10)16)9-17-12(3)15-7-5-11(2)18-15/h4-8,12,17H,9H2,1-3H3.
What are the key properties of N-[(3-chloro-4-methylphenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine?
N-[(3-chloro-4-methylphenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine has a molecular weight of 279.84 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methylphenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 106816707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).