N-[[4-chloro-2-(2-chloro-4,5-dimethylphenyl)phenyl]methyl]ethanamine

C17H19Cl2N — CID 115484378

IUPACN-[[4-chloro-2-(2-chloro-4,5-dimethylphenyl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(Cl)cc1-c1cc(C)c(C)cc1Cl
InChIInChI=1S/C17H19Cl2N/c1-4-20-10-13-5-6-14(18)9-15(13)16-7-11(2)12(3)8-17(16)19/h5-9,20H,4,10H2,1-3H3
InChIKeyUWTYUWPRBLJQRA-UHFFFAOYSA-N
MW308.25 g/mol
LogP5.39
Rot. Bonds4

About N-[[4-chloro-2-(2-chloro-4,5-dimethylphenyl)phenyl]methyl]ethanamine

N-[[4-chloro-2-(2-chloro-4,5-dimethylphenyl)phenyl]methyl]ethanamine (PubChem CID 115484378) has the molecular formula C17H19Cl2N and a molecular weight of 308.25 g/mol. Its IUPAC name is N-[[4-chloro-2-(2-chloro-4,5-dimethylphenyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-chloro-2-(2-chloro-4,5-dimethylphenyl)phenyl]methyl]ethanamine
PubChem CID115484378
Molecular FormulaC17H19Cl2N
Molecular Weight308.25 g/mol
Exact Mass307.09
IUPAC NameN-[[4-chloro-2-(2-chloro-4,5-dimethylphenyl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(Cl)cc1-c1cc(C)c(C)cc1Cl
InChIInChI=1S/C17H19Cl2N/c1-4-20-10-13-5-6-14(18)9-15(13)16-7-11(2)12(3)8-17(16)19/h5-9,20H,4,10H2,1-3H3
InChIKeyUWTYUWPRBLJQRA-UHFFFAOYSA-N
XLogP5.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.25
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[4-chloro-2-(3,4-diethylphenyl)phenyl]methyl]ethanamine
CID 115482556
N-[(2-bromo-4-chlorophenyl)methyl]ethanamine
CID 81497013
N-[[4-chloro-2-(3-chloro-4-methylphenyl)phenyl]methyl]propan-1-amine
CID 115504137
N-[[4-chloro-2-(2-chloro-5-fluorophenyl)phenyl]methyl]propan-1-amine
CID 105395768
N-[[5-(2,4-dichlorophenyl)-2-fluorophenyl]methyl]ethanamine
CID 63428426
N-[(4-chloro-2-isoquinolin-8-ylphenyl)methyl]ethanamine
CID 103144004
N-[[5-(2,4-dichlorophenyl)-2-methoxyphenyl]methyl]ethanamine
CID 63428117
N-[[4-(5-chloro-2-methoxyphenyl)-2-fluorophenyl]methyl]ethanamine
CID 61034237
N-[[5-chloro-2-(4-chloro-2-methylphenoxy)phenyl]methyl]ethanamine
CID 114855893
N-[[4-(4-chlorophenoxy)-2-methylphenyl]methyl]ethanamine
CID 55221727
N-[[4-chloro-2-[3-(2-methylpropyl)phenyl]phenyl]methyl]ethanamine
CID 116545418
2-N-[5-chloro-2-(ethylaminomethyl)phenyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103190004

Frequently Asked Questions

What is the IUPAC name of N-[[4-chloro-2-(2-chloro-4,5-dimethylphenyl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-chloro-2-(2-chloro-4,5-dimethylphenyl)phenyl]methyl]ethanamine (CID 115484378) is N-[[4-chloro-2-(2-chloro-4,5-dimethylphenyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-chloro-2-(2-chloro-4,5-dimethylphenyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-chloro-2-(2-chloro-4,5-dimethylphenyl)phenyl]methyl]ethanamine is CCNCc1ccc(Cl)cc1-c1cc(C)c(C)cc1Cl.
What is the InChIKey of N-[[4-chloro-2-(2-chloro-4,5-dimethylphenyl)phenyl]methyl]ethanamine?
The InChIKey is UWTYUWPRBLJQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N/c1-4-20-10-13-5-6-14(18)9-15(13)16-7-11(2)12(3)8-17(16)19/h5-9,20H,4,10H2,1-3H3.
What are the key properties of N-[[4-chloro-2-(2-chloro-4,5-dimethylphenyl)phenyl]methyl]ethanamine?
N-[[4-chloro-2-(2-chloro-4,5-dimethylphenyl)phenyl]methyl]ethanamine has a molecular weight of 308.25 g/mol, XLogP of 5.39, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-chloro-2-(2-chloro-4,5-dimethylphenyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 115484378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).