1-[4-[(4-chlorophenyl)methoxy]-3,5-dimethylphenyl]-N-methylmethanamine

C17H20ClNO — CID 60878557

IUPAC1-[4-[(4-chlorophenyl)methoxy]-3,5-dimethylphenyl]-N-methylmethanamine
SMILESCNCc1cc(C)c(OCc2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C17H20ClNO/c1-12-8-15(10-19-3)9-13(2)17(12)20-11-14-4-6-16(18)7-5-14/h4-9,19H,10-11H2,1-3H3
InChIKeyQQRUAICFQFNRLZ-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.26
Rot. Bonds5

About 1-[4-[(4-chlorophenyl)methoxy]-3,5-dimethylphenyl]-N-methylmethanamine

1-[4-[(4-chlorophenyl)methoxy]-3,5-dimethylphenyl]-N-methylmethanamine (PubChem CID 60878557) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 1-[4-[(4-chlorophenyl)methoxy]-3,5-dimethylphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-[(4-chlorophenyl)methoxy]-3,5-dimethylphenyl]-N-methylmethanamine
PubChem CID60878557
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name1-[4-[(4-chlorophenyl)methoxy]-3,5-dimethylphenyl]-N-methylmethanamine
SMILESCNCc1cc(C)c(OCc2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C17H20ClNO/c1-12-8-15(10-19-3)9-13(2)17(12)20-11-14-4-6-16(18)7-5-14/h4-9,19H,10-11H2,1-3H3
InChIKeyQQRUAICFQFNRLZ-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

1-[4-[(3-chlorophenyl)methoxy]-3,5-dimethylphenyl]-N-methylmethanamine
CID 60879302
1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride
CID 6458719
1-[3,5-dimethyl-4-[(2-methylphenyl)methoxy]phenyl]-N-methylmethanamine
CID 43276668
1-[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine
CID 107686447
N-[[4-[(4-chloro-2,6-dimethylphenoxy)methyl]phenyl]methyl]ethanamine
CID 63498001
2-[4-[(4-chloro-2,6-dimethylphenoxy)methyl]phenyl]ethanamine
CID 105350387
1-[4-[(4-chloro-3,5-dimethylphenoxy)methyl]phenyl]-N-methylmethanamine
CID 63497021
[4-[(4-chlorophenyl)methoxy]-3,5-dimethylphenyl]boronic acid;molecular hydrogen
CID 157399619
1-[4-[(2,4-dichlorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 62459209
1-[3,5-dibromo-4-[(3,4-difluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 107741707
5-chloro-N-[[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126125917
1-(3-chloro-4-methoxy-5-methylphenyl)-N-methylmethanamine
CID 83831691

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-chlorophenyl)methoxy]-3,5-dimethylphenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-[(4-chlorophenyl)methoxy]-3,5-dimethylphenyl]-N-methylmethanamine (CID 60878557) is 1-[4-[(4-chlorophenyl)methoxy]-3,5-dimethylphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-[(4-chlorophenyl)methoxy]-3,5-dimethylphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-[(4-chlorophenyl)methoxy]-3,5-dimethylphenyl]-N-methylmethanamine is CNCc1cc(C)c(OCc2ccc(Cl)cc2)c(C)c1.
What is the InChIKey of 1-[4-[(4-chlorophenyl)methoxy]-3,5-dimethylphenyl]-N-methylmethanamine?
The InChIKey is QQRUAICFQFNRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-12-8-15(10-19-3)9-13(2)17(12)20-11-14-4-6-16(18)7-5-14/h4-9,19H,10-11H2,1-3H3.
What are the key properties of 1-[4-[(4-chlorophenyl)methoxy]-3,5-dimethylphenyl]-N-methylmethanamine?
1-[4-[(4-chlorophenyl)methoxy]-3,5-dimethylphenyl]-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-chlorophenyl)methoxy]-3,5-dimethylphenyl]-N-methylmethanamine is sourced from PubChem (CID 60878557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).