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

C18H23NO — CID 43282794

IUPACN-[[2-(2,3-dimethylphenoxy)phenyl]methyl]propan-2-amine
SMILESCc1cccc(Oc2ccccc2CNC(C)C)c1C
InChIInChI=1S/C18H23NO/c1-13(2)19-12-16-9-5-6-10-18(16)20-17-11-7-8-14(3)15(17)4/h5-11,13,19H,12H2,1-4H3
InChIKeyAQLFCPOKZDQJHE-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.59
Rot. Bonds5

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

N-[[2-(2,3-dimethylphenoxy)phenyl]methyl]propan-2-amine (PubChem CID 43282794) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[[2-(2,3-dimethylphenoxy)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(2,3-dimethylphenoxy)phenyl]methyl]propan-2-amine
PubChem CID43282794
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-[[2-(2,3-dimethylphenoxy)phenyl]methyl]propan-2-amine
SMILESCc1cccc(Oc2ccccc2CNC(C)C)c1C
InChIInChI=1S/C18H23NO/c1-13(2)19-12-16-9-5-6-10-18(16)20-17-11-7-8-14(3)15(17)4/h5-11,13,19H,12H2,1-4H3
InChIKeyAQLFCPOKZDQJHE-UHFFFAOYSA-N
XLogP4.59
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 ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2,3-dimethylphenoxy)phenyl]propan-2-amine
CID 63817683
2-[2-[2-[(propan-2-ylamino)methyl]phenoxy]phenyl]ethanol
CID 107712955
N-[[2-(3-methylphenoxy)phenyl]methyl]propan-2-amine
CID 43283112
N-[[2-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]propan-2-amine
CID 43283842
N-[(2-methoxyphenyl)methyl]propan-2-amine
CID 11458027
N-[[2-(2-chloro-4-methylphenoxy)phenyl]methyl]propan-2-amine
CID 63550934
1,2-dimethyl-3-(2-propylphenoxy)benzene
CID 173291845
N-[[6-(2,3-dimethylphenoxy)pyridazin-3-yl]methyl]propan-2-amine
CID 62296582
N-[[5-(2,3-dimethylphenoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
CID 80624122
N-[[6-(2,3-dimethylphenoxy)-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 80637091
N-[(2-pyridin-3-yloxyphenyl)methyl]propan-2-amine
CID 43283723
N-[[2-(2-bromo-4-fluorophenoxy)phenyl]methyl]propan-2-amine
CID 43282598

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,3-dimethylphenoxy)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(2,3-dimethylphenoxy)phenyl]methyl]propan-2-amine (CID 43282794) is N-[[2-(2,3-dimethylphenoxy)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(2,3-dimethylphenoxy)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(2,3-dimethylphenoxy)phenyl]methyl]propan-2-amine is Cc1cccc(Oc2ccccc2CNC(C)C)c1C.
What is the InChIKey of N-[[2-(2,3-dimethylphenoxy)phenyl]methyl]propan-2-amine?
The InChIKey is AQLFCPOKZDQJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-13(2)19-12-16-9-5-6-10-18(16)20-17-11-7-8-14(3)15(17)4/h5-11,13,19H,12H2,1-4H3.
What are the key properties of N-[[2-(2,3-dimethylphenoxy)phenyl]methyl]propan-2-amine?
N-[[2-(2,3-dimethylphenoxy)phenyl]methyl]propan-2-amine has a molecular weight of 269.39 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,3-dimethylphenoxy)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 43282794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).