N-[(2,5-dichlorophenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine

C18H21Cl2N — CID 43491174

IUPACN-[(2,5-dichlorophenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(Cl)ccc1Cl)c1c(C)cc(C)cc1C
InChIInChI=1S/C18H21Cl2N/c1-5-21-18(15-10-14(19)6-7-16(15)20)17-12(3)8-11(2)9-13(17)4/h6-10,18,21H,5H2,1-4H3
InChIKeyRSCZEKMCTUBBAZ-UHFFFAOYSA-N
MW322.28 g/mol
LogP5.62
Rot. Bonds4

About N-[(2,5-dichlorophenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine

N-[(2,5-dichlorophenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine (PubChem CID 43491174) has the molecular formula C18H21Cl2N and a molecular weight of 322.28 g/mol. Its IUPAC name is N-[(2,5-dichlorophenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,5-dichlorophenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
PubChem CID43491174
Molecular FormulaC18H21Cl2N
Molecular Weight322.28 g/mol
Exact Mass321.11
IUPAC NameN-[(2,5-dichlorophenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(Cl)ccc1Cl)c1c(C)cc(C)cc1C
InChIInChI=1S/C18H21Cl2N/c1-5-21-18(15-10-14(19)6-7-16(15)20)17-12(3)8-11(2)9-13(17)4/h6-10,18,21H,5H2,1-4H3
InChIKeyRSCZEKMCTUBBAZ-UHFFFAOYSA-N
XLogP5.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.28
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[bis(2,5-dichlorophenyl)methyl]ethanamine
CID 43493009
N-[(5-chloro-2-fluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine
CID 106882073
N-[(2-chloro-4-methylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 106861014
N-[(5-chloro-4-methylthiophen-2-yl)-(2,5-dichlorophenyl)methyl]ethanamine
CID 102763885
N-[(2-fluoro-5-methylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 63508460
N-[(2-chloro-3-fluorophenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 81454708
N-[(5-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methyl]ethanamine
CID 43492925
N-[(5-bromo-2-chlorophenyl)-(4-fluoro-2,6-dimethylphenyl)methyl]ethanamine
CID 106878329
N-[(5-chloro-2-methylphenyl)-(4-methylphenyl)methyl]ethanamine
CID 82884123
N-[(2,5-dichlorophenyl)-(2,5-dimethylthiophen-3-yl)methyl]ethanamine
CID 43491967
N-[(2,5-difluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine
CID 106881521
N-[(2,5-dichlorophenyl)-(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 43626308

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dichlorophenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine?
The IUPAC name of N-[(2,5-dichlorophenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine (CID 43491174) is N-[(2,5-dichlorophenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,5-dichlorophenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2,5-dichlorophenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine is CCNC(c1cc(Cl)ccc1Cl)c1c(C)cc(C)cc1C.
What is the InChIKey of N-[(2,5-dichlorophenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine?
The InChIKey is RSCZEKMCTUBBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N/c1-5-21-18(15-10-14(19)6-7-16(15)20)17-12(3)8-11(2)9-13(17)4/h6-10,18,21H,5H2,1-4H3.
What are the key properties of N-[(2,5-dichlorophenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine?
N-[(2,5-dichlorophenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine has a molecular weight of 322.28 g/mol, XLogP of 5.62, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dichlorophenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine is sourced from PubChem (CID 43491174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).