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

C17H20ClNO — CID 60879302

IUPAC1-[4-[(3-chlorophenyl)methoxy]-3,5-dimethylphenyl]-N-methylmethanamine
SMILESCNCc1cc(C)c(OCc2cccc(Cl)c2)c(C)c1
InChIInChI=1S/C17H20ClNO/c1-12-7-15(10-19-3)8-13(2)17(12)20-11-14-5-4-6-16(18)9-14/h4-9,19H,10-11H2,1-3H3
InChIKeyQYHGTTFTJWNROI-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.26
Rot. Bonds5

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

1-[4-[(3-chlorophenyl)methoxy]-3,5-dimethylphenyl]-N-methylmethanamine (PubChem CID 60879302) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 1-[4-[(3-chlorophenyl)methoxy]-3,5-dimethylphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-[(3-chlorophenyl)methoxy]-3,5-dimethylphenyl]-N-methylmethanamine
PubChem CID60879302
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name1-[4-[(3-chlorophenyl)methoxy]-3,5-dimethylphenyl]-N-methylmethanamine
SMILESCNCc1cc(C)c(OCc2cccc(Cl)c2)c(C)c1
InChIInChI=1S/C17H20ClNO/c1-12-7-15(10-19-3)8-13(2)17(12)20-11-14-5-4-6-16(18)9-14/h4-9,19H,10-11H2,1-3H3
InChIKeyQYHGTTFTJWNROI-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-[(4-chlorophenyl)methoxy]-3,5-dimethylphenyl]-N-methylmethanamine
CID 60878557
[4-[(3-chlorophenyl)methoxy]-3,5-dimethylphenyl]methanol
CID 28933245
1-[3,5-dichloro-2-[(3-chlorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 63499190
1-[3,5-dimethyl-4-[(2-methylphenyl)methoxy]phenyl]-N-methylmethanamine
CID 43276668
1-[3,5-dibromo-4-[(3-methylphenyl)methoxy]phenyl]-N-methylmethanamine
CID 107741925
1-[4-[(3-chlorophenyl)methoxy]-2-pyridinyl]-N-methylmethanamine
CID 65125148
2-[(3-chlorophenyl)methoxy]-1,3-dimethoxy-5-methylbenzene
CID 59303411
1-[3-chloro-6-[(3-chlorophenyl)methoxy]-2-pyridinyl]-N-methylmethanamine
CID 65125729
5-bromo-2-[(3-chlorophenyl)methoxy]-3-methylbenzaldehyde
CID 112620679
1-[4-[(3-chlorophenyl)methoxy]-3-nitrophenyl]-N-methylmethanamine
CID 60883684
1-[3,5-dibromo-4-[(2,6-dimethylphenyl)methoxy]phenyl]-N-methylmethanamine
CID 107741928
4-bromo-2-[(3-chlorophenyl)methoxy]-1-methylbenzene
CID 107284184

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-chlorophenyl)methoxy]-3,5-dimethylphenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-[(3-chlorophenyl)methoxy]-3,5-dimethylphenyl]-N-methylmethanamine (CID 60879302) is 1-[4-[(3-chlorophenyl)methoxy]-3,5-dimethylphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-[(3-chlorophenyl)methoxy]-3,5-dimethylphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-[(3-chlorophenyl)methoxy]-3,5-dimethylphenyl]-N-methylmethanamine is CNCc1cc(C)c(OCc2cccc(Cl)c2)c(C)c1.
What is the InChIKey of 1-[4-[(3-chlorophenyl)methoxy]-3,5-dimethylphenyl]-N-methylmethanamine?
The InChIKey is QYHGTTFTJWNROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-12-7-15(10-19-3)8-13(2)17(12)20-11-14-5-4-6-16(18)9-14/h4-9,19H,10-11H2,1-3H3.
What are the key properties of 1-[4-[(3-chlorophenyl)methoxy]-3,5-dimethylphenyl]-N-methylmethanamine?
1-[4-[(3-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-[(3-chlorophenyl)methoxy]-3,5-dimethylphenyl]-N-methylmethanamine is sourced from PubChem (CID 60879302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).