1-[2-[(2,4-dichlorophenyl)methoxy]-5-methylphenyl]-N-methylmethanamine

C16H17Cl2NO — CID 63486921

IUPAC1-[2-[(2,4-dichlorophenyl)methoxy]-5-methylphenyl]-N-methylmethanamine
SMILESCNCc1cc(C)ccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H17Cl2NO/c1-11-3-6-16(13(7-11)9-19-2)20-10-12-4-5-14(17)8-15(12)18/h3-8,19H,9-10H2,1-2H3
InChIKeyCPMCJRRFUVEVRQ-UHFFFAOYSA-N
MW310.22 g/mol
LogP4.60
Rot. Bonds5

About 1-[2-[(2,4-dichlorophenyl)methoxy]-5-methylphenyl]-N-methylmethanamine

1-[2-[(2,4-dichlorophenyl)methoxy]-5-methylphenyl]-N-methylmethanamine (PubChem CID 63486921) has the molecular formula C16H17Cl2NO and a molecular weight of 310.22 g/mol. Its IUPAC name is 1-[2-[(2,4-dichlorophenyl)methoxy]-5-methylphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[(2,4-dichlorophenyl)methoxy]-5-methylphenyl]-N-methylmethanamine
PubChem CID63486921
Molecular FormulaC16H17Cl2NO
Molecular Weight310.22 g/mol
Exact Mass309.07
IUPAC Name1-[2-[(2,4-dichlorophenyl)methoxy]-5-methylphenyl]-N-methylmethanamine
SMILESCNCc1cc(C)ccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H17Cl2NO/c1-11-3-6-16(13(7-11)9-19-2)20-10-12-4-5-14(17)8-15(12)18/h3-8,19H,9-10H2,1-2H3
InChIKeyCPMCJRRFUVEVRQ-UHFFFAOYSA-N
XLogP4.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[(2,4-dichlorophenyl)methoxy]-5-methylphenyl]methanamine
CID 63322638
N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline
CID 126119796
1-[5-chloro-2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 43646631
N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine;hydrochloride
CID 17289160
N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline
CID 126118745
1-[2-[(3,5-dimethylphenyl)methoxy]-5-methylphenyl]-N-methylmethanamine
CID 63322567
1-[5-chloro-2-[(2-chloro-4-methylphenyl)methoxy]phenyl]-N-methylethanamine
CID 106861750
1-[2-[(2,6-difluorophenyl)methoxy]-5-methylphenyl]-N-methylmethanamine
CID 114930094
1-(2,4-dichlorophenyl)-N-methylmethanamine;ethane
CID 142839755
2-[(2,4-dichlorophenyl)methoxy]-5-methylbenzenesulfonamide
CID 43342438
N'-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-N-methylpropane-1,3-diamine
CID 4720637
1-(5-chloro-2-phenylmethoxyphenyl)-N-methylmethanamine
CID 961380

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,4-dichlorophenyl)methoxy]-5-methylphenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-[(2,4-dichlorophenyl)methoxy]-5-methylphenyl]-N-methylmethanamine (CID 63486921) is 1-[2-[(2,4-dichlorophenyl)methoxy]-5-methylphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[(2,4-dichlorophenyl)methoxy]-5-methylphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[(2,4-dichlorophenyl)methoxy]-5-methylphenyl]-N-methylmethanamine is CNCc1cc(C)ccc1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[2-[(2,4-dichlorophenyl)methoxy]-5-methylphenyl]-N-methylmethanamine?
The InChIKey is CPMCJRRFUVEVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO/c1-11-3-6-16(13(7-11)9-19-2)20-10-12-4-5-14(17)8-15(12)18/h3-8,19H,9-10H2,1-2H3.
What are the key properties of 1-[2-[(2,4-dichlorophenyl)methoxy]-5-methylphenyl]-N-methylmethanamine?
1-[2-[(2,4-dichlorophenyl)methoxy]-5-methylphenyl]-N-methylmethanamine has a molecular weight of 310.22 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2,4-dichlorophenyl)methoxy]-5-methylphenyl]-N-methylmethanamine is sourced from PubChem (CID 63486921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).