[2-(4-chlorophenyl)-4,5-dimethoxyphenyl]methanamine

C15H16ClNO2 — CID 54911492

IUPAC[2-(4-chlorophenyl)-4,5-dimethoxyphenyl]methanamine
SMILESCOc1cc(CN)c(-c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C15H16ClNO2/c1-18-14-7-11(9-17)13(8-15(14)19-2)10-3-5-12(16)6-4-10/h3-8H,9,17H2,1-2H3
InChIKeyLRGOZKXBZALAQM-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.48
Rot. Bonds4

About [2-(4-chlorophenyl)-4,5-dimethoxyphenyl]methanamine

[2-(4-chlorophenyl)-4,5-dimethoxyphenyl]methanamine (PubChem CID 54911492) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is [2-(4-chlorophenyl)-4,5-dimethoxyphenyl]methanamine.

Molecular Properties

Compound Name[2-(4-chlorophenyl)-4,5-dimethoxyphenyl]methanamine
PubChem CID54911492
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name[2-(4-chlorophenyl)-4,5-dimethoxyphenyl]methanamine
SMILESCOc1cc(CN)c(-c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C15H16ClNO2/c1-18-14-7-11(9-17)13(8-15(14)19-2)10-3-5-12(16)6-4-10/h3-8H,9,17H2,1-2H3
InChIKeyLRGOZKXBZALAQM-UHFFFAOYSA-N
XLogP3.48
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-ethylphenyl)-4,5-dimethoxyphenyl]methanamine
CID 61033908
(4,5-dimethoxy-2-pyridin-4-ylphenyl)methanamine
CID 61075245
[4,5-dimethoxy-2-(2,4,6-trichlorophenyl)phenyl]methanamine
CID 105350062
[4,5-dimethoxy-2-(3,4,5-trifluorophenyl)phenyl]methanamine
CID 61241607
[5-(4-chlorophenyl)-2,3-dimethoxyphenyl]methanamine
CID 39224816
[2-(2-chloro-4,5-difluorophenyl)-4,5-dimethoxyphenyl]methanamine
CID 107476915
[5-chloro-2-(2-methoxyphenyl)phenyl]methanamine
CID 66160291
[2-(2-chloro-4-fluoro-5-methylphenyl)-4,5-dimethoxyphenyl]methanamine
CID 81047763
[4,5-dimethoxy-2-(1-methylpyrazol-4-yl)phenyl]methanamine
CID 54980067
9,10-bis(4-chlorophenyl)-2,3,6,7-tetramethoxyanthracene
CID 56602037
[4,5-dimethoxy-2-(3-nitrophenyl)phenyl]methanamine
CID 61385627
[2-(3-fluoro-4-pyridinyl)-4,5-dimethoxyphenyl]methanamine
CID 104738859

Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)-4,5-dimethoxyphenyl]methanamine?
The IUPAC name of [2-(4-chlorophenyl)-4,5-dimethoxyphenyl]methanamine (CID 54911492) is [2-(4-chlorophenyl)-4,5-dimethoxyphenyl]methanamine.
What is the SMILES notation for [2-(4-chlorophenyl)-4,5-dimethoxyphenyl]methanamine?
The canonical SMILES for [2-(4-chlorophenyl)-4,5-dimethoxyphenyl]methanamine is COc1cc(CN)c(-c2ccc(Cl)cc2)cc1OC.
What is the InChIKey of [2-(4-chlorophenyl)-4,5-dimethoxyphenyl]methanamine?
The InChIKey is LRGOZKXBZALAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-18-14-7-11(9-17)13(8-15(14)19-2)10-3-5-12(16)6-4-10/h3-8H,9,17H2,1-2H3.
What are the key properties of [2-(4-chlorophenyl)-4,5-dimethoxyphenyl]methanamine?
[2-(4-chlorophenyl)-4,5-dimethoxyphenyl]methanamine has a molecular weight of 277.75 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)-4,5-dimethoxyphenyl]methanamine is sourced from PubChem (CID 54911492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).