1-(2,5-dimethylphenyl)-1-(3-methoxyphenyl)-N-methylmethanamine

C17H21NO — CID 43483809

IUPAC1-(2,5-dimethylphenyl)-1-(3-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1cccc(OC)c1)c1cc(C)ccc1C
InChIInChI=1S/C17H21NO/c1-12-8-9-13(2)16(10-12)17(18-3)14-6-5-7-15(11-14)19-4/h5-11,17-18H,1-4H3
InChIKeyVXFGQRUJWSQIEN-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.62
Rot. Bonds4

About 1-(2,5-dimethylphenyl)-1-(3-methoxyphenyl)-N-methylmethanamine

1-(2,5-dimethylphenyl)-1-(3-methoxyphenyl)-N-methylmethanamine (PubChem CID 43483809) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-1-(3-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-1-(3-methoxyphenyl)-N-methylmethanamine
PubChem CID43483809
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name1-(2,5-dimethylphenyl)-1-(3-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1cccc(OC)c1)c1cc(C)ccc1C
InChIInChI=1S/C17H21NO/c1-12-8-9-13(2)16(10-12)17(18-3)14-6-5-7-15(11-14)19-4/h5-11,17-18H,1-4H3
InChIKeyVXFGQRUJWSQIEN-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylphenyl)-1-(3-iodophenyl)-N-methylmethanamine
CID 43483766
(1S)-N-[1-(2,5-dimethylphenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 81354278
1-(2,4-difluoro-5-methylphenyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 79724422
1-(4-fluoro-3,5-dimethylphenyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 65299487
1-(2-methoxy-4,6-dimethylphenyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 106680353
1-(3-bromo-4-methoxyphenyl)-1-(2,5-dimethylphenyl)-N-methylmethanamine
CID 43479934
[(3,5-dimethoxyphenyl)-(2,5-dimethylphenyl)methyl]hydrazine
CID 105292640
1-(2-chloro-5-fluorophenyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 105394635
1-(1,3-dimethylpyrazol-4-yl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 102802975
1-[3-(difluoromethoxy)phenyl]-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 115851960
1-(2-bromo-5-methylphenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 105022211
1-(4-methoxyphenyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 43481682

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-1-(3-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2,5-dimethylphenyl)-1-(3-methoxyphenyl)-N-methylmethanamine (CID 43483809) is 1-(2,5-dimethylphenyl)-1-(3-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-1-(3-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-1-(3-methoxyphenyl)-N-methylmethanamine is CNC(c1cccc(OC)c1)c1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-1-(3-methoxyphenyl)-N-methylmethanamine?
The InChIKey is VXFGQRUJWSQIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-12-8-9-13(2)16(10-12)17(18-3)14-6-5-7-15(11-14)19-4/h5-11,17-18H,1-4H3.
What are the key properties of 1-(2,5-dimethylphenyl)-1-(3-methoxyphenyl)-N-methylmethanamine?
1-(2,5-dimethylphenyl)-1-(3-methoxyphenyl)-N-methylmethanamine has a molecular weight of 255.36 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-1-(3-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 43483809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).