[2-chloro-4-(2-methoxy-4,6-dimethylphenyl)phenyl]methanamine

C16H18ClNO — CID 106681165

IUPAC[2-chloro-4-(2-methoxy-4,6-dimethylphenyl)phenyl]methanamine
SMILESCOc1cc(C)cc(C)c1-c1ccc(CN)c(Cl)c1
InChIInChI=1S/C16H18ClNO/c1-10-6-11(2)16(15(7-10)19-3)12-4-5-13(9-18)14(17)8-12/h4-8H,9,18H2,1-3H3
InChIKeyQHMWAHKETZKQHN-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.09
Rot. Bonds3

About [2-chloro-4-(2-methoxy-4,6-dimethylphenyl)phenyl]methanamine

[2-chloro-4-(2-methoxy-4,6-dimethylphenyl)phenyl]methanamine (PubChem CID 106681165) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is [2-chloro-4-(2-methoxy-4,6-dimethylphenyl)phenyl]methanamine.

Molecular Properties

Compound Name[2-chloro-4-(2-methoxy-4,6-dimethylphenyl)phenyl]methanamine
PubChem CID106681165
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name[2-chloro-4-(2-methoxy-4,6-dimethylphenyl)phenyl]methanamine
SMILESCOc1cc(C)cc(C)c1-c1ccc(CN)c(Cl)c1
InChIInChI=1S/C16H18ClNO/c1-10-6-11(2)16(15(7-10)19-3)12-4-5-13(9-18)14(17)8-12/h4-8H,9,18H2,1-3H3
InChIKeyQHMWAHKETZKQHN-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

[4-(3-chloro-4-methoxyphenyl)-5-methylthiophen-3-yl]methanamine
CID 82487476
1-[4-(2-methoxy-4,6-dimethylphenyl)phenyl]ethanamine
CID 106681095
2-methoxy-5-(2,4,6-trimethylphenyl)aniline
CID 54971573
4-(2-methoxy-4,6-dimethylphenyl)phenol
CID 106681641
(2-chloro-4-methoxy-5-methylphenyl)methanamine
CID 57458151
(5-chloro-4-methoxy-2-methylphenyl)methanamine
CID 82281020
[4-(2-methoxy-4,6-dimethylphenyl)thiophen-2-yl]methanamine
CID 106681068
[5-(2-chloro-4,5-dimethylphenyl)-2-methoxyphenyl]methanamine
CID 115484396
(2-chloro-4-methoxyphenyl)methanamine
CID 22467642
N-ethyl-1-[4-(2-methoxy-4,6-dimethylphenyl)phenyl]ethanamine
CID 106681143
[2-chloro-5-(2-methoxy-4,6-dimethylphenyl)phenyl] N-propan-2-ylcarbamate
CID 11493997
1-[3-(2-methoxy-4,6-dimethylphenyl)phenyl]propan-1-amine
CID 106681172

Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-(2-methoxy-4,6-dimethylphenyl)phenyl]methanamine?
The IUPAC name of [2-chloro-4-(2-methoxy-4,6-dimethylphenyl)phenyl]methanamine (CID 106681165) is [2-chloro-4-(2-methoxy-4,6-dimethylphenyl)phenyl]methanamine.
What is the SMILES notation for [2-chloro-4-(2-methoxy-4,6-dimethylphenyl)phenyl]methanamine?
The canonical SMILES for [2-chloro-4-(2-methoxy-4,6-dimethylphenyl)phenyl]methanamine is COc1cc(C)cc(C)c1-c1ccc(CN)c(Cl)c1.
What is the InChIKey of [2-chloro-4-(2-methoxy-4,6-dimethylphenyl)phenyl]methanamine?
The InChIKey is QHMWAHKETZKQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-10-6-11(2)16(15(7-10)19-3)12-4-5-13(9-18)14(17)8-12/h4-8H,9,18H2,1-3H3.
What are the key properties of [2-chloro-4-(2-methoxy-4,6-dimethylphenyl)phenyl]methanamine?
[2-chloro-4-(2-methoxy-4,6-dimethylphenyl)phenyl]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 [2-chloro-4-(2-methoxy-4,6-dimethylphenyl)phenyl]methanamine is sourced from PubChem (CID 106681165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).