1-[4-[(4-chloro-3,5-dimethylphenoxy)methyl]phenyl]-N-methylmethanamine

C17H20ClNO — CID 63497021

IUPAC1-[4-[(4-chloro-3,5-dimethylphenoxy)methyl]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(COc2cc(C)c(Cl)c(C)c2)cc1
InChIInChI=1S/C17H20ClNO/c1-12-8-16(9-13(2)17(12)18)20-11-15-6-4-14(5-7-15)10-19-3/h4-9,19H,10-11H2,1-3H3
InChIKeyVXYBSOQLQOOVBB-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.26
Rot. Bonds5

About 1-[4-[(4-chloro-3,5-dimethylphenoxy)methyl]phenyl]-N-methylmethanamine

1-[4-[(4-chloro-3,5-dimethylphenoxy)methyl]phenyl]-N-methylmethanamine (PubChem CID 63497021) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 1-[4-[(4-chloro-3,5-dimethylphenoxy)methyl]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-[(4-chloro-3,5-dimethylphenoxy)methyl]phenyl]-N-methylmethanamine
PubChem CID63497021
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name1-[4-[(4-chloro-3,5-dimethylphenoxy)methyl]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(COc2cc(C)c(Cl)c(C)c2)cc1
InChIInChI=1S/C17H20ClNO/c1-12-8-16(9-13(2)17(12)18)20-11-15-6-4-14(5-7-15)10-19-3/h4-9,19H,10-11H2,1-3H3
InChIKeyVXYBSOQLQOOVBB-UHFFFAOYSA-N
XLogP4.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-chloro-3,5-dimethylphenoxy)methyl]aniline
CID 22688136
1-[5-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 55076921
1-[5-[(4-chloro-3,5-dimethylphenoxy)methyl]thiophen-2-yl]-N-methylmethanamine
CID 107558758
1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride
CID 6458719
1-[4-[(4-chloro-3-fluorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 82727211
1-[4-[(4-chlorophenyl)methoxy]-3,5-dimethylphenyl]-N-methylmethanamine
CID 60878557
1-[4-[(2-chloro-5-methylphenoxy)methyl]phenyl]-N-methylmethanamine
CID 62485881
1-[2-(4-chloro-3,5-dimethylphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 62323652
1-[4-[(4-iodophenyl)methoxy]phenyl]-N-methylmethanamine
CID 65499941
1-[4-[(2,4-dichlorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 62459209
1-[4-[(5-bromo-2-methylphenoxy)methyl]phenyl]-N-methylmethanamine
CID 107285914
2-[3-[(4-chloro-3,5-dimethylphenoxy)methyl]phenyl]acetonitrile
CID 19050147

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-chloro-3,5-dimethylphenoxy)methyl]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-[(4-chloro-3,5-dimethylphenoxy)methyl]phenyl]-N-methylmethanamine (CID 63497021) is 1-[4-[(4-chloro-3,5-dimethylphenoxy)methyl]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-[(4-chloro-3,5-dimethylphenoxy)methyl]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-[(4-chloro-3,5-dimethylphenoxy)methyl]phenyl]-N-methylmethanamine is CNCc1ccc(COc2cc(C)c(Cl)c(C)c2)cc1.
What is the InChIKey of 1-[4-[(4-chloro-3,5-dimethylphenoxy)methyl]phenyl]-N-methylmethanamine?
The InChIKey is VXYBSOQLQOOVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-12-8-16(9-13(2)17(12)18)20-11-15-6-4-14(5-7-15)10-19-3/h4-9,19H,10-11H2,1-3H3.
What are the key properties of 1-[4-[(4-chloro-3,5-dimethylphenoxy)methyl]phenyl]-N-methylmethanamine?
1-[4-[(4-chloro-3,5-dimethylphenoxy)methyl]phenyl]-N-methylmethanamine has a molecular weight of 289.81 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-chloro-3,5-dimethylphenoxy)methyl]phenyl]-N-methylmethanamine is sourced from PubChem (CID 63497021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).