2-(2,4-dichlorophenyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]ethanamine

C14H16Cl2N2S — CID 64539502

IUPAC2-(2,4-dichlorophenyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]ethanamine
SMILESCc1nc(C)c(CNCCc2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C14H16Cl2N2S/c1-9-14(19-10(2)18-9)8-17-6-5-11-3-4-12(15)7-13(11)16/h3-4,7,17H,5-6,8H2,1-2H3
InChIKeyANAFGDHVSHELIO-UHFFFAOYSA-N
MW315.27 g/mol
LogP4.40
Rot. Bonds5

About 2-(2,4-dichlorophenyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]ethanamine

2-(2,4-dichlorophenyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]ethanamine (PubChem CID 64539502) has the molecular formula C14H16Cl2N2S and a molecular weight of 315.27 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]ethanamine
PubChem CID64539502
Molecular FormulaC14H16Cl2N2S
Molecular Weight315.27 g/mol
Exact Mass314.04
IUPAC Name2-(2,4-dichlorophenyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]ethanamine
SMILESCc1nc(C)c(CNCCc2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C14H16Cl2N2S/c1-9-14(19-10(2)18-9)8-17-6-5-11-3-4-12(15)7-13(11)16/h3-4,7,17H,5-6,8H2,1-2H3
InChIKeyANAFGDHVSHELIO-UHFFFAOYSA-N
XLogP4.40
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.27
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine
CID 17209606
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 78996318
2-(2,4-dichlorophenyl)-N-[(2,5-dimethylthiophen-3-yl)methyl]ethanamine
CID 63422918
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 104878329
2-(2,4-dichlorophenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 30054388
2-(2,4-dichlorophenyl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine
CID 80707891
2-(2,4-dichlorophenyl)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine
CID 66399352
1-[2-(2,4-dichlorophenyl)ethylamino]propan-2-ol
CID 60885182
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-phenylpropan-1-amine
CID 64541630
N-[2-(2,4-dichlorophenyl)ethyl]-2,2-difluoroethanamine
CID 60921887
N-[(4-bromophenyl)methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 17209550
2-(2,4-dichlorophenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 43088170

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]ethanamine?
The IUPAC name of 2-(2,4-dichlorophenyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]ethanamine (CID 64539502) is 2-(2,4-dichlorophenyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]ethanamine?
The canonical SMILES for 2-(2,4-dichlorophenyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]ethanamine is Cc1nc(C)c(CNCCc2ccc(Cl)cc2Cl)s1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]ethanamine?
The InChIKey is ANAFGDHVSHELIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2S/c1-9-14(19-10(2)18-9)8-17-6-5-11-3-4-12(15)7-13(11)16/h3-4,7,17H,5-6,8H2,1-2H3.
What are the key properties of 2-(2,4-dichlorophenyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]ethanamine?
2-(2,4-dichlorophenyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]ethanamine has a molecular weight of 315.27 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 64539502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).