1-[4-methoxy-3-(4-methylphenyl)phenyl]-N-methylethanamine

C17H21NO — CID 82540557

IUPAC1-[4-methoxy-3-(4-methylphenyl)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(OC)c(-c2ccc(C)cc2)c1
InChIInChI=1S/C17H21NO/c1-12-5-7-14(8-6-12)16-11-15(13(2)18-3)9-10-17(16)19-4/h5-11,13,18H,1-4H3
InChIKeySDVJLTFYXPPOOO-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.95
Rot. Bonds4

About 1-[4-methoxy-3-(4-methylphenyl)phenyl]-N-methylethanamine

1-[4-methoxy-3-(4-methylphenyl)phenyl]-N-methylethanamine (PubChem CID 82540557) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-[4-methoxy-3-(4-methylphenyl)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[4-methoxy-3-(4-methylphenyl)phenyl]-N-methylethanamine
PubChem CID82540557
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name1-[4-methoxy-3-(4-methylphenyl)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(OC)c(-c2ccc(C)cc2)c1
InChIInChI=1S/C17H21NO/c1-12-5-7-14(8-6-12)16-11-15(13(2)18-3)9-10-17(16)19-4/h5-11,13,18H,1-4H3
InChIKeySDVJLTFYXPPOOO-UHFFFAOYSA-N
XLogP3.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-fluoro-3-(2-methoxy-5-methylphenyl)phenyl]-N-methylethanamine
CID 82540228
1-[3-[3-[(dimethylamino)methyl]phenyl]-4-methoxyphenyl]-N-methylethanamine
CID 82540020
1-[3-(3,4-dimethoxyphenyl)phenyl]-N-methylethanamine
CID 61026051
1-[4-chloro-3-(5-fluoro-2-methoxyphenyl)phenyl]-N-methylethanamine
CID 82540185
(1R)-N-[[4-methoxy-3-(4-methylphenyl)phenyl]methyl]-1-phenylethanamine
CID 58833177
1-[3-fluoro-4-(4-methylphenoxy)phenyl]-N-methylethanamine
CID 43285113
N-[(4-methoxy-3-pyrimidin-5-ylphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 22391257
4-(2-methoxy-5-methylphenyl)-N,N-dimethylaniline
CID 20811410
1-[4-methoxy-3-(2-methoxy-5-methylphenyl)phenyl]ethanamine
CID 82541809
2-(4-bromophenyl)-1-methoxy-4-methylbenzene
CID 83665556
1-(4-methoxy-3-phenylphenyl)ethanol
CID 117328991
N'-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylethane-1,2-diamine
CID 166238464

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-3-(4-methylphenyl)phenyl]-N-methylethanamine?
The IUPAC name of 1-[4-methoxy-3-(4-methylphenyl)phenyl]-N-methylethanamine (CID 82540557) is 1-[4-methoxy-3-(4-methylphenyl)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[4-methoxy-3-(4-methylphenyl)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[4-methoxy-3-(4-methylphenyl)phenyl]-N-methylethanamine is CNC(C)c1ccc(OC)c(-c2ccc(C)cc2)c1.
What is the InChIKey of 1-[4-methoxy-3-(4-methylphenyl)phenyl]-N-methylethanamine?
The InChIKey is SDVJLTFYXPPOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-12-5-7-14(8-6-12)16-11-15(13(2)18-3)9-10-17(16)19-4/h5-11,13,18H,1-4H3.
What are the key properties of 1-[4-methoxy-3-(4-methylphenyl)phenyl]-N-methylethanamine?
1-[4-methoxy-3-(4-methylphenyl)phenyl]-N-methylethanamine has a molecular weight of 255.36 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-3-(4-methylphenyl)phenyl]-N-methylethanamine is sourced from PubChem (CID 82540557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).