1-[4-(2-chloro-4-methylphenoxy)-2-methylphenyl]-N-methylmethanamine

C16H18ClNO — CID 63552216

IUPAC1-[4-(2-chloro-4-methylphenoxy)-2-methylphenyl]-N-methylmethanamine
SMILESCNCc1ccc(Oc2ccc(C)cc2Cl)cc1C
InChIInChI=1S/C16H18ClNO/c1-11-4-7-16(15(17)8-11)19-14-6-5-13(10-18-3)12(2)9-14/h4-9,18H,10H2,1-3H3
InChIKeyUWVXRZRYRRFZJS-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.47
Rot. Bonds4

About 1-[4-(2-chloro-4-methylphenoxy)-2-methylphenyl]-N-methylmethanamine

1-[4-(2-chloro-4-methylphenoxy)-2-methylphenyl]-N-methylmethanamine (PubChem CID 63552216) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 1-[4-(2-chloro-4-methylphenoxy)-2-methylphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(2-chloro-4-methylphenoxy)-2-methylphenyl]-N-methylmethanamine
PubChem CID63552216
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name1-[4-(2-chloro-4-methylphenoxy)-2-methylphenyl]-N-methylmethanamine
SMILESCNCc1ccc(Oc2ccc(C)cc2Cl)cc1C
InChIInChI=1S/C16H18ClNO/c1-11-4-7-16(15(17)8-11)19-14-6-5-13(10-18-3)12(2)9-14/h4-9,18H,10H2,1-3H3
InChIKeyUWVXRZRYRRFZJS-UHFFFAOYSA-N
XLogP4.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(4-bromo-2,5-dichlorophenoxy)-2-methylphenyl]-N-methylmethanamine
CID 107659558
2-[4-(2-chloro-4-methylphenoxy)-2-methylphenyl]ethanamine
CID 63804026
1-[4-(3,5-dichlorophenoxy)-2-methylphenyl]-N-methylmethanamine
CID 55222155
N-[[4-(4-bromo-2-chlorophenoxy)-2-methylphenyl]methyl]ethanamine
CID 63550708
1-[4-(3-chloro-4-fluorophenoxy)-2-methylphenyl]-N-methylmethanamine
CID 63879873
[4-(2-chloro-5-methylphenoxy)-2-methylphenyl]methanamine
CID 55038503
1-[4-(4-chloro-2-nitrophenoxy)-2-methylphenyl]-N-methylmethanamine
CID 62130681
1-[3-(2-chloro-4-methylphenoxy)-4-methylphenyl]-N-methylmethanamine
CID 105407266
1-[4-chloro-2-(3,4-dimethylphenoxy)phenyl]-N-methylmethanamine
CID 44562943
1-[5-chloro-2-(2-chloro-4-methylphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 114928615
N-methyl-1-(2-methyl-4-naphthalen-1-yloxyphenyl)methanamine
CID 63552196
1-[5-chloro-2-(4-fluoro-3-methylphenoxy)phenyl]-N-methylmethanamine
CID 114857626

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-chloro-4-methylphenoxy)-2-methylphenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(2-chloro-4-methylphenoxy)-2-methylphenyl]-N-methylmethanamine (CID 63552216) is 1-[4-(2-chloro-4-methylphenoxy)-2-methylphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(2-chloro-4-methylphenoxy)-2-methylphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(2-chloro-4-methylphenoxy)-2-methylphenyl]-N-methylmethanamine is CNCc1ccc(Oc2ccc(C)cc2Cl)cc1C.
What is the InChIKey of 1-[4-(2-chloro-4-methylphenoxy)-2-methylphenyl]-N-methylmethanamine?
The InChIKey is UWVXRZRYRRFZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-11-4-7-16(15(17)8-11)19-14-6-5-13(10-18-3)12(2)9-14/h4-9,18H,10H2,1-3H3.
What are the key properties of 1-[4-(2-chloro-4-methylphenoxy)-2-methylphenyl]-N-methylmethanamine?
1-[4-(2-chloro-4-methylphenoxy)-2-methylphenyl]-N-methylmethanamine has a molecular weight of 275.78 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-chloro-4-methylphenoxy)-2-methylphenyl]-N-methylmethanamine is sourced from PubChem (CID 63552216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).