2-[3-[(2,5-dimethylphenyl)methoxy]phenyl]ethanamine

C17H21NO — CID 61482133

IUPAC2-[3-[(2,5-dimethylphenyl)methoxy]phenyl]ethanamine
SMILESCc1ccc(C)c(COc2cccc(CCN)c2)c1
InChIInChI=1S/C17H21NO/c1-13-6-7-14(2)16(10-13)12-19-17-5-3-4-15(11-17)8-9-18/h3-7,10-11H,8-9,12,18H2,1-2H3
InChIKeyDZKPKWKGAMDXBM-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.38
Rot. Bonds5

About 2-[3-[(2,5-dimethylphenyl)methoxy]phenyl]ethanamine

2-[3-[(2,5-dimethylphenyl)methoxy]phenyl]ethanamine (PubChem CID 61482133) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[3-[(2,5-dimethylphenyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-[(2,5-dimethylphenyl)methoxy]phenyl]ethanamine
PubChem CID61482133
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name2-[3-[(2,5-dimethylphenyl)methoxy]phenyl]ethanamine
SMILESCc1ccc(C)c(COc2cccc(CCN)c2)c1
InChIInChI=1S/C17H21NO/c1-13-6-7-14(2)16(10-13)12-19-17-5-3-4-15(11-17)8-9-18/h3-7,10-11H,8-9,12,18H2,1-2H3
InChIKeyDZKPKWKGAMDXBM-UHFFFAOYSA-N
XLogP3.38
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-[(2,5-dimethylphenyl)methoxy]phenyl]butan-2-amine
CID 83952087
2-[3-[2-(2,4-dimethylphenoxy)ethoxy]phenyl]ethanamine
CID 22687843
2-[3-[2-(3,4-dimethylphenoxy)ethoxy]phenyl]ethanamine
CID 22681607
(1S)-1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]ethanamine
CID 78936316
2-[3-chloro-2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanamine
CID 115957754
2-[2-[(2,5-dimethylphenyl)methoxy]-3-methoxyphenyl]ethanamine
CID 61482172
2-[[3-(2-aminoethyl)phenoxy]methyl]benzonitrile
CID 54930897
2-[3-(2-methylphenoxy)phenyl]ethanamine
CID 63942545
4-[[3-(2-aminoethyl)phenoxy]methyl]-N,N-dimethylaniline
CID 39205636
2-[2-[(2,5-dimethylphenyl)methoxy]-5-methoxyphenyl]ethanamine
CID 61482092
N-[3-[(2,5-dimethylphenyl)methoxy]phenyl]acetamide
CID 7698442
1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]-N-methylethanamine
CID 61482062

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2,5-dimethylphenyl)methoxy]phenyl]ethanamine?
The IUPAC name of 2-[3-[(2,5-dimethylphenyl)methoxy]phenyl]ethanamine (CID 61482133) is 2-[3-[(2,5-dimethylphenyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[3-[(2,5-dimethylphenyl)methoxy]phenyl]ethanamine?
The canonical SMILES for 2-[3-[(2,5-dimethylphenyl)methoxy]phenyl]ethanamine is Cc1ccc(C)c(COc2cccc(CCN)c2)c1.
What is the InChIKey of 2-[3-[(2,5-dimethylphenyl)methoxy]phenyl]ethanamine?
The InChIKey is DZKPKWKGAMDXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-13-6-7-14(2)16(10-13)12-19-17-5-3-4-15(11-17)8-9-18/h3-7,10-11H,8-9,12,18H2,1-2H3.
What are the key properties of 2-[3-[(2,5-dimethylphenyl)methoxy]phenyl]ethanamine?
2-[3-[(2,5-dimethylphenyl)methoxy]phenyl]ethanamine has a molecular weight of 255.36 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2,5-dimethylphenyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 61482133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).