N-[[2-(2,6-dimethylphenoxy)phenyl]methyl]propan-1-amine

C18H23NO — CID 43282629

IUPACN-[[2-(2,6-dimethylphenoxy)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccccc1Oc1c(C)cccc1C
InChIInChI=1S/C18H23NO/c1-4-12-19-13-16-10-5-6-11-17(16)20-18-14(2)8-7-9-15(18)3/h5-11,19H,4,12-13H2,1-3H3
InChIKeyIXYHHTVBVNIUDN-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.60
Rot. Bonds6

About N-[[2-(2,6-dimethylphenoxy)phenyl]methyl]propan-1-amine

N-[[2-(2,6-dimethylphenoxy)phenyl]methyl]propan-1-amine (PubChem CID 43282629) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[[2-(2,6-dimethylphenoxy)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(2,6-dimethylphenoxy)phenyl]methyl]propan-1-amine
PubChem CID43282629
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-[[2-(2,6-dimethylphenoxy)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccccc1Oc1c(C)cccc1C
InChIInChI=1S/C18H23NO/c1-4-12-19-13-16-10-5-6-11-17(16)20-18-14(2)8-7-9-15(18)3/h5-11,19H,4,12-13H2,1-3H3
InChIKeyIXYHHTVBVNIUDN-UHFFFAOYSA-N
XLogP4.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2,6-dimethylphenoxy)phenyl]-N-methylmethanamine
CID 43282630
N-[[2-(4-bromo-3,5-dimethylphenoxy)phenyl]methyl]propan-1-amine
CID 107725294
N-[[2-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]propan-1-amine
CID 43283843
N-[[2-(5-bromo-2-methylphenoxy)phenyl]methyl]propan-1-amine
CID 107285188
N-[[2-(4-chloro-2-methylphenoxy)phenyl]methyl]propan-1-amine
CID 43283414
2-[2-[2-(propylaminomethyl)phenoxy]phenyl]ethanol
CID 107712993
N-[[2-(2,5-dichlorophenoxy)phenyl]methyl]propan-1-amine
CID 43282683
N-[[2-(3-fluorophenoxy)phenyl]methyl]propan-1-amine
CID 43283339
N-[[2-(3-ethylphenoxy)phenyl]methyl]propan-1-amine
CID 43282324
N-[[3-methyl-2-(1-phenylethoxy)phenyl]methyl]propan-1-amine
CID 115952747
N-[(2-trimethylsilyloxyphenyl)methyl]propan-1-amine
CID 167723210
N-[(2,3-dimethoxyphenyl)methyl]propan-1-amine
CID 4717511

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,6-dimethylphenoxy)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(2,6-dimethylphenoxy)phenyl]methyl]propan-1-amine (CID 43282629) is N-[[2-(2,6-dimethylphenoxy)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(2,6-dimethylphenoxy)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(2,6-dimethylphenoxy)phenyl]methyl]propan-1-amine is CCCNCc1ccccc1Oc1c(C)cccc1C.
What is the InChIKey of N-[[2-(2,6-dimethylphenoxy)phenyl]methyl]propan-1-amine?
The InChIKey is IXYHHTVBVNIUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-4-12-19-13-16-10-5-6-11-17(16)20-18-14(2)8-7-9-15(18)3/h5-11,19H,4,12-13H2,1-3H3.
What are the key properties of N-[[2-(2,6-dimethylphenoxy)phenyl]methyl]propan-1-amine?
N-[[2-(2,6-dimethylphenoxy)phenyl]methyl]propan-1-amine has a molecular weight of 269.39 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,6-dimethylphenoxy)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 43282629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).