1-(3-chloro-2-methylphenyl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine

C16H16Cl3NO — CID 107096626

IUPAC1-(3-chloro-2-methylphenyl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1cc(Cl)c(OC)cc1Cl)c1cccc(Cl)c1C
InChIInChI=1S/C16H16Cl3NO/c1-9-10(5-4-6-12(9)17)16(20-2)11-7-14(19)15(21-3)8-13(11)18/h4-8,16,20H,1-3H3
InChIKeyUXVRMUBKZAEUGM-UHFFFAOYSA-N
MW344.67 g/mol
LogP5.27
Rot. Bonds4

About 1-(3-chloro-2-methylphenyl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine

1-(3-chloro-2-methylphenyl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine (PubChem CID 107096626) has the molecular formula C16H16Cl3NO and a molecular weight of 344.67 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine
PubChem CID107096626
Molecular FormulaC16H16Cl3NO
Molecular Weight344.67 g/mol
Exact Mass343.03
IUPAC Name1-(3-chloro-2-methylphenyl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1cc(Cl)c(OC)cc1Cl)c1cccc(Cl)c1C
InChIInChI=1S/C16H16Cl3NO/c1-9-10(5-4-6-12(9)17)16(20-2)11-7-14(19)15(21-3)8-13(11)18/h4-8,16,20H,1-3H3
InChIKeyUXVRMUBKZAEUGM-UHFFFAOYSA-N
XLogP5.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.67
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-3-methylphenyl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine
CID 107982118
1-(2-chloro-4,5-dimethylphenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine
CID 115483934
1-(3-chloro-2-methylphenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 107103127
1-(2,5-dibromophenyl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine
CID 114369248
1-(3-chloro-2-methylphenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 107096375
N-[(3-chloro-2-methylphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 107102020
1-(3-chloro-2-methylphenyl)-1-[5-(methoxymethyl)furan-2-yl]-N-methylmethanamine
CID 107096640
1-(2,5-dibromothiophen-3-yl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine
CID 107961280
1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 43486373
1-(5-bromofuran-2-yl)-1-(3-chloro-2-methylphenyl)-N-methylmethanamine
CID 107096586
1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 43486329
(1S)-1-(3-chloro-2-methylphenyl)-N-methylethanamine
CID 96656380

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine (CID 107096626) is 1-(3-chloro-2-methylphenyl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine is CNC(c1cc(Cl)c(OC)cc1Cl)c1cccc(Cl)c1C.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine?
The InChIKey is UXVRMUBKZAEUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl3NO/c1-9-10(5-4-6-12(9)17)16(20-2)11-7-14(19)15(21-3)8-13(11)18/h4-8,16,20H,1-3H3.
What are the key properties of 1-(3-chloro-2-methylphenyl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine?
1-(3-chloro-2-methylphenyl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine has a molecular weight of 344.67 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 107096626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).