N-[[2-(3-ethylphenoxy)phenyl]methyl]propan-1-amine

C18H23NO — CID 43282324

IUPACN-[[2-(3-ethylphenoxy)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccccc1Oc1cccc(CC)c1
InChIInChI=1S/C18H23NO/c1-3-12-19-14-16-9-5-6-11-18(16)20-17-10-7-8-15(4-2)13-17/h5-11,13,19H,3-4,12,14H2,1-2H3
InChIKeyHLXDUANLIREYNC-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.54
Rot. Bonds7

About N-[[2-(3-ethylphenoxy)phenyl]methyl]propan-1-amine

N-[[2-(3-ethylphenoxy)phenyl]methyl]propan-1-amine (PubChem CID 43282324) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[[2-(3-ethylphenoxy)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(3-ethylphenoxy)phenyl]methyl]propan-1-amine
PubChem CID43282324
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-[[2-(3-ethylphenoxy)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccccc1Oc1cccc(CC)c1
InChIInChI=1S/C18H23NO/c1-3-12-19-14-16-9-5-6-11-18(16)20-17-10-7-8-15(4-2)13-17/h5-11,13,19H,3-4,12,14H2,1-2H3
InChIKeyHLXDUANLIREYNC-UHFFFAOYSA-N
XLogP4.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.54
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

N-[[2-(3-fluorophenoxy)phenyl]methyl]propan-1-amine
CID 43283339
N-[[3-(2-chlorophenoxy)phenyl]methyl]propan-1-amine
CID 63944074
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-(2,6-dimethylphenoxy)phenyl]methyl]propan-1-amine
CID 43282629
N-[[3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]phenyl]methyl]propan-1-amine
CID 103175271
2-[2-[2-(propylaminomethyl)phenoxy]phenyl]ethanol
CID 107712993
N-[[2-(2-ethylphenoxy)-5-fluorophenyl]methyl]propan-1-amine
CID 43314361
N-[(2-ethylphenyl)methyl]-2-(3-methoxyphenyl)ethanamine
CID 107850248
2-(3-ethylphenoxy)benzoyl bromide
CID 139662785
N-[[3-(3-bromophenoxy)phenyl]methyl]propan-1-amine
CID 63943681
N-[[3-(3,5-dimethylphenoxy)phenyl]methyl]propan-1-amine
CID 63942115

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-ethylphenoxy)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(3-ethylphenoxy)phenyl]methyl]propan-1-amine (CID 43282324) is N-[[2-(3-ethylphenoxy)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(3-ethylphenoxy)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(3-ethylphenoxy)phenyl]methyl]propan-1-amine is CCCNCc1ccccc1Oc1cccc(CC)c1.
What is the InChIKey of N-[[2-(3-ethylphenoxy)phenyl]methyl]propan-1-amine?
The InChIKey is HLXDUANLIREYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-3-12-19-14-16-9-5-6-11-18(16)20-17-10-7-8-15(4-2)13-17/h5-11,13,19H,3-4,12,14H2,1-2H3.
What are the key properties of N-[[2-(3-ethylphenoxy)phenyl]methyl]propan-1-amine?
N-[[2-(3-ethylphenoxy)phenyl]methyl]propan-1-amine has a molecular weight of 269.39 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-ethylphenoxy)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 43282324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).