N-[(2,5-dichlorophenyl)-(2-methoxy-5-methylphenyl)methyl]ethanamine

C17H19Cl2NO — CID 43626308

IUPACN-[(2,5-dichlorophenyl)-(2-methoxy-5-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(Cl)ccc1Cl)c1cc(C)ccc1OC
InChIInChI=1S/C17H19Cl2NO/c1-4-20-17(13-10-12(18)6-7-15(13)19)14-9-11(2)5-8-16(14)21-3/h5-10,17,20H,4H2,1-3H3
InChIKeyYBIGGALLDJHJSU-UHFFFAOYSA-N
MW324.25 g/mol
LogP5.01
Rot. Bonds5

About N-[(2,5-dichlorophenyl)-(2-methoxy-5-methylphenyl)methyl]ethanamine

N-[(2,5-dichlorophenyl)-(2-methoxy-5-methylphenyl)methyl]ethanamine (PubChem CID 43626308) has the molecular formula C17H19Cl2NO and a molecular weight of 324.25 g/mol. Its IUPAC name is N-[(2,5-dichlorophenyl)-(2-methoxy-5-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,5-dichlorophenyl)-(2-methoxy-5-methylphenyl)methyl]ethanamine
PubChem CID43626308
Molecular FormulaC17H19Cl2NO
Molecular Weight324.25 g/mol
Exact Mass323.08
IUPAC NameN-[(2,5-dichlorophenyl)-(2-methoxy-5-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(Cl)ccc1Cl)c1cc(C)ccc1OC
InChIInChI=1S/C17H19Cl2NO/c1-4-20-17(13-10-12(18)6-7-15(13)19)14-9-11(2)5-8-16(14)21-3/h5-10,17,20H,4H2,1-3H3
InChIKeyYBIGGALLDJHJSU-UHFFFAOYSA-N
XLogP5.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.25
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-chloro-2-methoxyphenyl)-(4-methylphenyl)methyl]ethanamine
CID 43489321
N-[(2-bromo-4-chlorophenyl)-(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 107987462
N-[bis(2,5-dichlorophenyl)methyl]ethanamine
CID 43493009
N-[(5-chloro-2-methoxyphenyl)-(4-ethylphenyl)methyl]ethanamine
CID 43491448
N-[(5-chloro-2-methoxyphenyl)-(2,6-dichlorophenyl)methyl]ethanamine
CID 104546028
N-[(2-chlorofuran-3-yl)-(5-chloro-2-methoxyphenyl)methyl]ethanamine
CID 106684605
N-[(5-chlorofuran-2-yl)-(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 106684341
N-[(2-bromo-3-methylphenyl)-(5-chloro-2-methoxyphenyl)methyl]ethanamine
CID 107982128
N-[(2-methoxy-5-methylphenyl)-(5-methylfuran-2-yl)methyl]ethanamine
CID 43626292
2-(4-chlorophenyl)-N-ethyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43626354
N-[(2,5-dichlorophenyl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 43561449
N-[(2,5-dichlorophenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 43491174

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dichlorophenyl)-(2-methoxy-5-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(2,5-dichlorophenyl)-(2-methoxy-5-methylphenyl)methyl]ethanamine (CID 43626308) is N-[(2,5-dichlorophenyl)-(2-methoxy-5-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,5-dichlorophenyl)-(2-methoxy-5-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2,5-dichlorophenyl)-(2-methoxy-5-methylphenyl)methyl]ethanamine is CCNC(c1cc(Cl)ccc1Cl)c1cc(C)ccc1OC.
What is the InChIKey of N-[(2,5-dichlorophenyl)-(2-methoxy-5-methylphenyl)methyl]ethanamine?
The InChIKey is YBIGGALLDJHJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO/c1-4-20-17(13-10-12(18)6-7-15(13)19)14-9-11(2)5-8-16(14)21-3/h5-10,17,20H,4H2,1-3H3.
What are the key properties of N-[(2,5-dichlorophenyl)-(2-methoxy-5-methylphenyl)methyl]ethanamine?
N-[(2,5-dichlorophenyl)-(2-methoxy-5-methylphenyl)methyl]ethanamine has a molecular weight of 324.25 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dichlorophenyl)-(2-methoxy-5-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 43626308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).