1-[3-(2-chloro-4-methylphenoxy)-4-methylphenyl]-N-methylmethanamine

C16H18ClNO — CID 105407266

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

About 1-[3-(2-chloro-4-methylphenoxy)-4-methylphenyl]-N-methylmethanamine

1-[3-(2-chloro-4-methylphenoxy)-4-methylphenyl]-N-methylmethanamine (PubChem CID 105407266) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 1-[3-(2-chloro-4-methylphenoxy)-4-methylphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(2-chloro-4-methylphenoxy)-4-methylphenyl]-N-methylmethanamine
PubChem CID105407266
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name1-[3-(2-chloro-4-methylphenoxy)-4-methylphenyl]-N-methylmethanamine
SMILESCNCc1ccc(C)c(Oc2ccc(C)cc2Cl)c1
InChIInChI=1S/C16H18ClNO/c1-11-4-7-15(14(17)8-11)19-16-9-13(10-18-3)6-5-12(16)2/h4-9,18H,10H2,1-3H3
InChIKeyQUTBYFOTEWWDAS-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-[3-(2,4-dichlorophenoxy)-4-methylphenyl]-N-methylmethanamine
CID 105406792
1-[3-(5-chloro-2-methylphenoxy)-4-methylphenyl]-N-methylmethanamine
CID 105407414
1-[3-(4-bromo-2,5-dichlorophenoxy)-4-methylphenyl]-N-methylmethanamine
CID 107659517
1-[3-chloro-4-(4-chloro-2-methylphenoxy)phenyl]-N-methylmethanamine
CID 81154995
N-[[3-(2-chloro-5-methylphenoxy)-4-methylphenyl]methyl]ethanamine
CID 105407022
N-methyl-1-[4-methyl-3-(5-methyl-2-nitrophenoxy)phenyl]methanamine
CID 105407132
N-[[3-chloro-4-(2-chloro-4-methylphenoxy)phenyl]methyl]propan-1-amine
CID 81151267
1-[3-chloro-4-(5-methyl-2-nitrophenoxy)phenyl]-N-methylmethanamine
CID 81151382
1-[3-(4-fluoro-2-methylphenoxy)-4-methylphenyl]-N-methylmethanamine
CID 105407476
1-[4-(5-bromo-2-chlorophenoxy)-3-chlorophenyl]-N-methylmethanamine
CID 81154583
1-[4-(2-chloro-4-methylphenoxy)-2-methylphenyl]-N-methylmethanamine
CID 63552216
1-[3-(3,4-dimethylphenoxy)-4-methylphenyl]-N-methylmethanamine
CID 105406718

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-chloro-4-methylphenoxy)-4-methylphenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-(2-chloro-4-methylphenoxy)-4-methylphenyl]-N-methylmethanamine (CID 105407266) is 1-[3-(2-chloro-4-methylphenoxy)-4-methylphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(2-chloro-4-methylphenoxy)-4-methylphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(2-chloro-4-methylphenoxy)-4-methylphenyl]-N-methylmethanamine is CNCc1ccc(C)c(Oc2ccc(C)cc2Cl)c1.
What is the InChIKey of 1-[3-(2-chloro-4-methylphenoxy)-4-methylphenyl]-N-methylmethanamine?
The InChIKey is QUTBYFOTEWWDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-11-4-7-15(14(17)8-11)19-16-9-13(10-18-3)6-5-12(16)2/h4-9,18H,10H2,1-3H3.
What are the key properties of 1-[3-(2-chloro-4-methylphenoxy)-4-methylphenyl]-N-methylmethanamine?
1-[3-(2-chloro-4-methylphenoxy)-4-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-[3-(2-chloro-4-methylphenoxy)-4-methylphenyl]-N-methylmethanamine is sourced from PubChem (CID 105407266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).