[5-(2-chloro-4,5-dimethylphenyl)-2-methoxyphenyl]methanamine

C16H18ClNO — CID 115484396

IUPAC[5-(2-chloro-4,5-dimethylphenyl)-2-methoxyphenyl]methanamine
SMILESCOc1ccc(-c2cc(C)c(C)cc2Cl)cc1CN
InChIInChI=1S/C16H18ClNO/c1-10-6-14(15(17)7-11(10)2)12-4-5-16(19-3)13(8-12)9-18/h4-8H,9,18H2,1-3H3
InChIKeyWVNRNNHFFICLDO-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.09
Rot. Bonds3

About [5-(2-chloro-4,5-dimethylphenyl)-2-methoxyphenyl]methanamine

[5-(2-chloro-4,5-dimethylphenyl)-2-methoxyphenyl]methanamine (PubChem CID 115484396) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is [5-(2-chloro-4,5-dimethylphenyl)-2-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[5-(2-chloro-4,5-dimethylphenyl)-2-methoxyphenyl]methanamine
PubChem CID115484396
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name[5-(2-chloro-4,5-dimethylphenyl)-2-methoxyphenyl]methanamine
SMILESCOc1ccc(-c2cc(C)c(C)cc2Cl)cc1CN
InChIInChI=1S/C16H18ClNO/c1-10-6-14(15(17)7-11(10)2)12-4-5-16(19-3)13(8-12)9-18/h4-8H,9,18H2,1-3H3
InChIKeyWVNRNNHFFICLDO-UHFFFAOYSA-N
XLogP4.09
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-(4-chloro-3-fluorophenyl)-2-methoxyphenyl]methanamine
CID 172653750
(5-chloro-4-methoxy-2-methylphenyl)methanamine
CID 82281020
[5-(2-fluorophenyl)-2-methoxyphenyl]methanamine;hydrochloride
CID 171037272
[5-(1,3-dimethylpyrazol-4-yl)-2-methoxyphenyl]methanamine
CID 66009097
3-[3-(aminomethyl)-4-methoxyphenyl]-4-methoxybenzonitrile
CID 106951075
[2-(3-chloro-4-methoxyphenyl)-5-fluorophenyl]methanamine
CID 114078458
4-[3-(aminomethyl)-4-methoxyphenyl]-5-methyl-1,3-oxazol-2-amine
CID 115039437
2-chloro-4-(2-chloro-4,5-dimethylphenyl)aniline
CID 107607819
(5-tert-butyl-2-methoxyphenyl)methanamine
CID 82075869
(2-chloro-4-methoxy-5-methylphenyl)methanamine
CID 57458151
[5-(3-fluorophenyl)-2-methoxyphenyl]methanamine
CID 54911914
[2-(2-chloro-4-fluoro-5-methylphenyl)-4,5-dimethoxyphenyl]methanamine
CID 81047763

Frequently Asked Questions

What is the IUPAC name of [5-(2-chloro-4,5-dimethylphenyl)-2-methoxyphenyl]methanamine?
The IUPAC name of [5-(2-chloro-4,5-dimethylphenyl)-2-methoxyphenyl]methanamine (CID 115484396) is [5-(2-chloro-4,5-dimethylphenyl)-2-methoxyphenyl]methanamine.
What is the SMILES notation for [5-(2-chloro-4,5-dimethylphenyl)-2-methoxyphenyl]methanamine?
The canonical SMILES for [5-(2-chloro-4,5-dimethylphenyl)-2-methoxyphenyl]methanamine is COc1ccc(-c2cc(C)c(C)cc2Cl)cc1CN.
What is the InChIKey of [5-(2-chloro-4,5-dimethylphenyl)-2-methoxyphenyl]methanamine?
The InChIKey is WVNRNNHFFICLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-10-6-14(15(17)7-11(10)2)12-4-5-16(19-3)13(8-12)9-18/h4-8H,9,18H2,1-3H3.
What are the key properties of [5-(2-chloro-4,5-dimethylphenyl)-2-methoxyphenyl]methanamine?
[5-(2-chloro-4,5-dimethylphenyl)-2-methoxyphenyl]methanamine has a molecular weight of 275.78 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-chloro-4,5-dimethylphenyl)-2-methoxyphenyl]methanamine is sourced from PubChem (CID 115484396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).