1-[4-(4-ethoxyphenoxy)-2-methylphenyl]-N-methylmethanamine

C17H21NO2 — CID 62128798

IUPAC1-[4-(4-ethoxyphenoxy)-2-methylphenyl]-N-methylmethanamine
SMILESCCOc1ccc(Oc2ccc(CNC)c(C)c2)cc1
InChIInChI=1S/C17H21NO2/c1-4-19-15-7-9-16(10-8-15)20-17-6-5-14(12-18-3)13(2)11-17/h5-11,18H,4,12H2,1-3H3
InChIKeyXJYZXCDWQKBMLP-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.91
Rot. Bonds6

About 1-[4-(4-ethoxyphenoxy)-2-methylphenyl]-N-methylmethanamine

1-[4-(4-ethoxyphenoxy)-2-methylphenyl]-N-methylmethanamine (PubChem CID 62128798) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[4-(4-ethoxyphenoxy)-2-methylphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(4-ethoxyphenoxy)-2-methylphenyl]-N-methylmethanamine
PubChem CID62128798
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name1-[4-(4-ethoxyphenoxy)-2-methylphenyl]-N-methylmethanamine
SMILESCCOc1ccc(Oc2ccc(CNC)c(C)c2)cc1
InChIInChI=1S/C17H21NO2/c1-4-19-15-7-9-16(10-8-15)20-17-6-5-14(12-18-3)13(2)11-17/h5-11,18H,4,12H2,1-3H3
InChIKeyXJYZXCDWQKBMLP-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3,5-dichlorophenoxy)-2-methylphenyl]-N-methylmethanamine
CID 55222155
1-[4-(3,4-difluorophenoxy)-2-methylphenyl]-N-methylmethanamine
CID 55038504
N-methyl-1-(2-methyl-4-propoxyphenyl)methanamine
CID 82553666
1-[4-(3-chloro-4-fluorophenoxy)-2-methylphenyl]-N-methylmethanamine
CID 63879873
N,N-dimethyl-3-[3-methyl-4-(methylaminomethyl)phenoxy]aniline
CID 62128804
N-methyl-1-(2-methyl-4-quinolin-3-yloxyphenyl)methanamine
CID 107387603
1-(4-ethoxy-2-fluorophenyl)-N-methylmethanamine
CID 84659103
N-[[4-(4-bromophenoxy)-2-methylphenyl]methyl]ethanamine
CID 55221726
4-(4-ethoxyphenoxy)-2-methylbenzenecarbothioamide
CID 81277177
N-[[4-(4-chlorophenoxy)-2-methylphenyl]methyl]ethanamine
CID 55221727
N-methyl-1-(2-methyl-4-phenylmethoxyphenyl)methanamine
CID 82553597
N-[[4-(4-fluorophenoxy)-2-methylphenyl]methyl]ethanamine
CID 62130842

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethoxyphenoxy)-2-methylphenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(4-ethoxyphenoxy)-2-methylphenyl]-N-methylmethanamine (CID 62128798) is 1-[4-(4-ethoxyphenoxy)-2-methylphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(4-ethoxyphenoxy)-2-methylphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(4-ethoxyphenoxy)-2-methylphenyl]-N-methylmethanamine is CCOc1ccc(Oc2ccc(CNC)c(C)c2)cc1.
What is the InChIKey of 1-[4-(4-ethoxyphenoxy)-2-methylphenyl]-N-methylmethanamine?
The InChIKey is XJYZXCDWQKBMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-4-19-15-7-9-16(10-8-15)20-17-6-5-14(12-18-3)13(2)11-17/h5-11,18H,4,12H2,1-3H3.
What are the key properties of 1-[4-(4-ethoxyphenoxy)-2-methylphenyl]-N-methylmethanamine?
1-[4-(4-ethoxyphenoxy)-2-methylphenyl]-N-methylmethanamine has a molecular weight of 271.36 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethoxyphenoxy)-2-methylphenyl]-N-methylmethanamine is sourced from PubChem (CID 62128798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).