1-[2-(2,3-dimethylphenoxy)phenyl]propan-2-amine

C17H21NO — CID 63817683

IUPAC1-[2-(2,3-dimethylphenoxy)phenyl]propan-2-amine
SMILESCc1cccc(Oc2ccccc2CC(C)N)c1C
InChIInChI=1S/C17H21NO/c1-12-7-6-10-16(14(12)3)19-17-9-5-4-8-15(17)11-13(2)18/h4-10,13H,11,18H2,1-3H3
InChIKeyWDICJTMFQHTLSH-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.99
Rot. Bonds4

About 1-[2-(2,3-dimethylphenoxy)phenyl]propan-2-amine

1-[2-(2,3-dimethylphenoxy)phenyl]propan-2-amine (PubChem CID 63817683) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-[2-(2,3-dimethylphenoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(2,3-dimethylphenoxy)phenyl]propan-2-amine
PubChem CID63817683
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name1-[2-(2,3-dimethylphenoxy)phenyl]propan-2-amine
SMILESCc1cccc(Oc2ccccc2CC(C)N)c1C
InChIInChI=1S/C17H21NO/c1-12-7-6-10-16(14(12)3)19-17-9-5-4-8-15(17)11-13(2)18/h4-10,13H,11,18H2,1-3H3
InChIKeyWDICJTMFQHTLSH-UHFFFAOYSA-N
XLogP3.99
TPSA35.25 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 ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(2,3-dimethylphenoxy)phenyl]methyl]propan-2-amine
CID 43282794
1-[2-(4-bromo-2-methylphenoxy)phenyl]propan-2-amine
CID 63801992
1,2-dimethyl-3-(2-propylphenoxy)benzene
CID 173291845
1-[2-(2-chloro-5-methylphenoxy)phenyl]propan-2-amine
CID 63803481
1-[4-bromo-2-(2-methylphenoxy)phenyl]propan-2-amine
CID 63801754
1-[4-(2-methylphenoxy)phenyl]propan-2-amine
CID 63803790
1-[2-(4-iodophenoxy)phenyl]propan-2-amine
CID 63802805
1-[2-(4-propan-2-ylphenoxy)phenyl]propan-2-amine
CID 63817173
1-(2-methoxyphenyl)propan-2-amine;hydrochloride
CID 3029810
1-[3-(2-ethylphenoxy)-4-methylphenyl]propan-2-amine
CID 105411150
1-[2-(2-fluoro-3-methylphenoxy)phenyl]butan-2-amine
CID 107661732
2-[(2R)-2-aminopropyl]-6-methylaniline
CID 130618077

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dimethylphenoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[2-(2,3-dimethylphenoxy)phenyl]propan-2-amine (CID 63817683) is 1-[2-(2,3-dimethylphenoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[2-(2,3-dimethylphenoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[2-(2,3-dimethylphenoxy)phenyl]propan-2-amine is Cc1cccc(Oc2ccccc2CC(C)N)c1C.
What is the InChIKey of 1-[2-(2,3-dimethylphenoxy)phenyl]propan-2-amine?
The InChIKey is WDICJTMFQHTLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-12-7-6-10-16(14(12)3)19-17-9-5-4-8-15(17)11-13(2)18/h4-10,13H,11,18H2,1-3H3.
What are the key properties of 1-[2-(2,3-dimethylphenoxy)phenyl]propan-2-amine?
1-[2-(2,3-dimethylphenoxy)phenyl]propan-2-amine has a molecular weight of 255.36 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dimethylphenoxy)phenyl]propan-2-amine is sourced from PubChem (CID 63817683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).