1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]-N-methylethanamine

C18H23NO — CID 61482062

IUPAC1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]-N-methylethanamine
SMILESCNC(C)c1cccc(OCc2cc(C)ccc2C)c1
InChIInChI=1S/C18H23NO/c1-13-8-9-14(2)17(10-13)12-20-18-7-5-6-16(11-18)15(3)19-4/h5-11,15,19H,12H2,1-4H3
InChIKeyNXIQFTULUCITLU-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.16
Rot. Bonds5

About 1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]-N-methylethanamine

1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]-N-methylethanamine (PubChem CID 61482062) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]-N-methylethanamine
PubChem CID61482062
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]-N-methylethanamine
SMILESCNC(C)c1cccc(OCc2cc(C)ccc2C)c1
InChIInChI=1S/C18H23NO/c1-13-8-9-14(2)17(10-13)12-20-18-7-5-6-16(11-18)15(3)19-4/h5-11,15,19H,12H2,1-4H3
InChIKeyNXIQFTULUCITLU-UHFFFAOYSA-N
XLogP4.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]ethanamine
CID 78936316
1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]-2,2,2-trifluoroethanol
CID 83952092
1-[3-[(2,6-difluorophenyl)methoxy]phenyl]-N-methylethanamine
CID 114930058
1-[3-(3-ethoxyphenoxy)phenyl]-N-methylethanamine
CID 79167201
1-[3-[(4-chlorophenyl)methoxy]phenyl]-N-methylethanamine
CID 60883450
N-methyl-1-(3-propoxyphenyl)ethanamine
CID 43279892
N-methyl-1-[3-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine
CID 63020641
N-methyl-1-[3-[(2-nitrophenyl)methoxy]phenyl]ethanamine
CID 60881202
1-[3-[(3-bromophenyl)methoxy]phenyl]-N-methylethanamine
CID 60883448
4-[3-[(2,5-dimethylphenyl)methoxy]phenyl]butan-2-amine
CID 83952087
N-methyl-1-[3-(3-phenoxypropoxy)phenyl]ethanamine
CID 62936434
N-[3-[(2,5-dimethylphenyl)methoxy]phenyl]acetamide
CID 7698442

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]-N-methylethanamine?
The IUPAC name of 1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]-N-methylethanamine (CID 61482062) is 1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]-N-methylethanamine?
The canonical SMILES for 1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]-N-methylethanamine is CNC(C)c1cccc(OCc2cc(C)ccc2C)c1.
What is the InChIKey of 1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]-N-methylethanamine?
The InChIKey is NXIQFTULUCITLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-13-8-9-14(2)17(10-13)12-20-18-7-5-6-16(11-18)15(3)19-4/h5-11,15,19H,12H2,1-4H3.
What are the key properties of 1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]-N-methylethanamine?
1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]-N-methylethanamine has a molecular weight of 269.39 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]-N-methylethanamine is sourced from PubChem (CID 61482062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).