N-[(3-chloro-4-methylphenyl)-(4-chloro-3-methylphenyl)methyl]ethanamine

C17H19Cl2N — CID 107562052

IUPACN-[(3-chloro-4-methylphenyl)-(4-chloro-3-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)c(C)c1)c1ccc(C)c(Cl)c1
InChIInChI=1S/C17H19Cl2N/c1-4-20-17(13-7-8-15(18)12(3)9-13)14-6-5-11(2)16(19)10-14/h5-10,17,20H,4H2,1-3H3
InChIKeyHGCTXIFZSCLYEQ-UHFFFAOYSA-N
MW308.25 g/mol
LogP5.31
Rot. Bonds4

About N-[(3-chloro-4-methylphenyl)-(4-chloro-3-methylphenyl)methyl]ethanamine

N-[(3-chloro-4-methylphenyl)-(4-chloro-3-methylphenyl)methyl]ethanamine (PubChem CID 107562052) has the molecular formula C17H19Cl2N and a molecular weight of 308.25 g/mol. Its IUPAC name is N-[(3-chloro-4-methylphenyl)-(4-chloro-3-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-chloro-4-methylphenyl)-(4-chloro-3-methylphenyl)methyl]ethanamine
PubChem CID107562052
Molecular FormulaC17H19Cl2N
Molecular Weight308.25 g/mol
Exact Mass307.09
IUPAC NameN-[(3-chloro-4-methylphenyl)-(4-chloro-3-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)c(C)c1)c1ccc(C)c(Cl)c1
InChIInChI=1S/C17H19Cl2N/c1-4-20-17(13-7-8-15(18)12(3)9-13)14-6-5-11(2)16(19)10-14/h5-10,17,20H,4H2,1-3H3
InChIKeyHGCTXIFZSCLYEQ-UHFFFAOYSA-N
XLogP5.31
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 ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-chloro-3-methylphenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 107130379
N-[(3-chloro-4-iodophenyl)-(3-chloro-4-methylphenyl)methyl]ethanamine
CID 107561723
N-[(3-chloro-4-methylphenyl)-(4-propylphenyl)methyl]ethanamine
CID 63508480
N-[(3-chloro-4-methylphenyl)-(3-chloro-5-methylphenyl)methyl]ethanamine
CID 107562129
N-[(4-chloro-3-methylphenyl)-(3-fluorophenyl)methyl]ethanamine
CID 115792045
N-[(3,4-dichlorophenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 43492849
N-[(3-bromo-4-chlorophenyl)-(3,4-dimethylphenyl)methyl]ethanamine
CID 115567471
N-[(4-chloro-3-methylphenyl)-(3-propylphenyl)methyl]ethanamine
CID 105050433
N-[(3-chloro-4-methylphenyl)-(3-propylphenyl)methyl]ethanamine
CID 105050507
N-[(3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methyl]ethanamine
CID 63502248
N-[(3-chloro-4-methylphenyl)-(5-iodothiophen-3-yl)methyl]ethanamine
CID 107561865
1-(4-chloro-3-methylphenyl)-N-ethylethanamine
CID 115781009

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methylphenyl)-(4-chloro-3-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(3-chloro-4-methylphenyl)-(4-chloro-3-methylphenyl)methyl]ethanamine (CID 107562052) is N-[(3-chloro-4-methylphenyl)-(4-chloro-3-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-chloro-4-methylphenyl)-(4-chloro-3-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-chloro-4-methylphenyl)-(4-chloro-3-methylphenyl)methyl]ethanamine is CCNC(c1ccc(Cl)c(C)c1)c1ccc(C)c(Cl)c1.
What is the InChIKey of N-[(3-chloro-4-methylphenyl)-(4-chloro-3-methylphenyl)methyl]ethanamine?
The InChIKey is HGCTXIFZSCLYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N/c1-4-20-17(13-7-8-15(18)12(3)9-13)14-6-5-11(2)16(19)10-14/h5-10,17,20H,4H2,1-3H3.
What are the key properties of N-[(3-chloro-4-methylphenyl)-(4-chloro-3-methylphenyl)methyl]ethanamine?
N-[(3-chloro-4-methylphenyl)-(4-chloro-3-methylphenyl)methyl]ethanamine has a molecular weight of 308.25 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methylphenyl)-(4-chloro-3-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 107562052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).