1-[4-[(2,4-dichlorophenoxy)methyl]phenyl]-N-methylmethanamine

C15H15Cl2NO — CID 62459209

IUPAC1-[4-[(2,4-dichlorophenoxy)methyl]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(COc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C15H15Cl2NO/c1-18-9-11-2-4-12(5-3-11)10-19-15-7-6-13(16)8-14(15)17/h2-8,18H,9-10H2,1H3
InChIKeyAHNSFQQYIHMPJV-UHFFFAOYSA-N
MW296.20 g/mol
LogP4.29
Rot. Bonds5

About 1-[4-[(2,4-dichlorophenoxy)methyl]phenyl]-N-methylmethanamine

1-[4-[(2,4-dichlorophenoxy)methyl]phenyl]-N-methylmethanamine (PubChem CID 62459209) has the molecular formula C15H15Cl2NO and a molecular weight of 296.20 g/mol. Its IUPAC name is 1-[4-[(2,4-dichlorophenoxy)methyl]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-[(2,4-dichlorophenoxy)methyl]phenyl]-N-methylmethanamine
PubChem CID62459209
Molecular FormulaC15H15Cl2NO
Molecular Weight296.20 g/mol
Exact Mass295.05
IUPAC Name1-[4-[(2,4-dichlorophenoxy)methyl]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(COc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C15H15Cl2NO/c1-18-9-11-2-4-12(5-3-11)10-19-15-7-6-13(16)8-14(15)17/h2-8,18H,9-10H2,1H3
InChIKeyAHNSFQQYIHMPJV-UHFFFAOYSA-N
XLogP4.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-chloro-4-[(3,4-difluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 82918677
1-[4-[(2-chloro-5-methylphenoxy)methyl]phenyl]-N-methylmethanamine
CID 62485881
1-[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine
CID 107686447
1-[4-[(4-bromo-2,5-dichlorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 107661048
1-(5-chloro-2-phenylmethoxyphenyl)-N-methylmethanamine
CID 961380
1-[6-[(2,4-dichlorophenoxy)methyl]-2-pyridinyl]-N-methylmethanamine
CID 106908117
1-[6-(2,4-dichlorophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 55058802
1-[3-[(2-bromo-4-chlorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 62459792
1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride
CID 6458719
1-[3-(2,4-dichlorophenoxy)-4-methylphenyl]-N-methylmethanamine
CID 105406792
1-[3-[(2,5-dichlorophenyl)methoxy]-4-methoxyphenyl]-N-methylmethanamine
CID 65318650
1-[2-[(2,4-dichlorophenoxy)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82190991

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,4-dichlorophenoxy)methyl]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-[(2,4-dichlorophenoxy)methyl]phenyl]-N-methylmethanamine (CID 62459209) is 1-[4-[(2,4-dichlorophenoxy)methyl]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-[(2,4-dichlorophenoxy)methyl]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-[(2,4-dichlorophenoxy)methyl]phenyl]-N-methylmethanamine is CNCc1ccc(COc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 1-[4-[(2,4-dichlorophenoxy)methyl]phenyl]-N-methylmethanamine?
The InChIKey is AHNSFQQYIHMPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO/c1-18-9-11-2-4-12(5-3-11)10-19-15-7-6-13(16)8-14(15)17/h2-8,18H,9-10H2,1H3.
What are the key properties of 1-[4-[(2,4-dichlorophenoxy)methyl]phenyl]-N-methylmethanamine?
1-[4-[(2,4-dichlorophenoxy)methyl]phenyl]-N-methylmethanamine has a molecular weight of 296.20 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2,4-dichlorophenoxy)methyl]phenyl]-N-methylmethanamine is sourced from PubChem (CID 62459209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).