1-(3-ethoxyphenyl)-1-(4-methoxyphenyl)-N-methylmethanamine

C17H21NO2 — CID 60819656

IUPAC1-(3-ethoxyphenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
SMILESCCOc1cccc(C(NC)c2ccc(OC)cc2)c1
InChIInChI=1S/C17H21NO2/c1-4-20-16-7-5-6-14(12-16)17(18-2)13-8-10-15(19-3)11-9-13/h5-12,17-18H,4H2,1-3H3
InChIKeyCLXGPMXLXBCXLP-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.40
Rot. Bonds6

About 1-(3-ethoxyphenyl)-1-(4-methoxyphenyl)-N-methylmethanamine

1-(3-ethoxyphenyl)-1-(4-methoxyphenyl)-N-methylmethanamine (PubChem CID 60819656) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(3-ethoxyphenyl)-1-(4-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-ethoxyphenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
PubChem CID60819656
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name1-(3-ethoxyphenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
SMILESCCOc1cccc(C(NC)c2ccc(OC)cc2)c1
InChIInChI=1S/C17H21NO2/c1-4-20-16-7-5-6-14(12-16)17(18-2)13-8-10-15(19-3)11-9-13/h5-12,17-18H,4H2,1-3H3
InChIKeyCLXGPMXLXBCXLP-UHFFFAOYSA-N
XLogP3.40
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 60864424
N-[(4-ethoxyphenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 43489444
1-(4-methoxyphenyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 43481682
1-(4-bromo-3-fluorophenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 105022189
3-[(4-methoxyphenyl)-(methylamino)methyl]-N-methylaniline
CID 116951951
1-(4-bromo-2-methoxyphenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 105022233
1-(3-ethoxyphenyl)-1-(2-ethylphenyl)-N-methylmethanamine
CID 105022424
1-(4-chloro-3-fluorophenyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 107991860
1-(2,6-dimethyl-3-pyridinyl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 105173207
1-(4-chlorophenyl)-N-methyl-1-(3-propoxyphenyl)methanamine
CID 62919848
1-(5-methoxy-3-pyridinyl)-N-methyl-1-(3-propoxyphenyl)methanamine
CID 105025977
1-(3,4-dichlorophenyl)-1-(4-ethoxyphenyl)-N-methylmethanamine
CID 43481911

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyphenyl)-1-(4-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-ethoxyphenyl)-1-(4-methoxyphenyl)-N-methylmethanamine (CID 60819656) is 1-(3-ethoxyphenyl)-1-(4-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-ethoxyphenyl)-1-(4-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-ethoxyphenyl)-1-(4-methoxyphenyl)-N-methylmethanamine is CCOc1cccc(C(NC)c2ccc(OC)cc2)c1.
What is the InChIKey of 1-(3-ethoxyphenyl)-1-(4-methoxyphenyl)-N-methylmethanamine?
The InChIKey is CLXGPMXLXBCXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-4-20-16-7-5-6-14(12-16)17(18-2)13-8-10-15(19-3)11-9-13/h5-12,17-18H,4H2,1-3H3.
What are the key properties of 1-(3-ethoxyphenyl)-1-(4-methoxyphenyl)-N-methylmethanamine?
1-(3-ethoxyphenyl)-1-(4-methoxyphenyl)-N-methylmethanamine has a molecular weight of 271.36 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyphenyl)-1-(4-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 60819656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).