N-[[3-(4-propylphenoxy)phenyl]methyl]ethanamine

C18H23NO — CID 63942334

IUPACN-[[3-(4-propylphenoxy)phenyl]methyl]ethanamine
SMILESCCCc1ccc(Oc2cccc(CNCC)c2)cc1
InChIInChI=1S/C18H23NO/c1-3-6-15-9-11-17(12-10-15)20-18-8-5-7-16(13-18)14-19-4-2/h5,7-13,19H,3-4,6,14H2,1-2H3
InChIKeyPWLFCCJIMGNZKG-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.54
Rot. Bonds7

About N-[[3-(4-propylphenoxy)phenyl]methyl]ethanamine

N-[[3-(4-propylphenoxy)phenyl]methyl]ethanamine (PubChem CID 63942334) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[[3-(4-propylphenoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(4-propylphenoxy)phenyl]methyl]ethanamine
PubChem CID63942334
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-[[3-(4-propylphenoxy)phenyl]methyl]ethanamine
SMILESCCCc1ccc(Oc2cccc(CNCC)c2)cc1
InChIInChI=1S/C18H23NO/c1-3-6-15-9-11-17(12-10-15)20-18-8-5-7-16(13-18)14-19-4-2/h5,7-13,19H,3-4,6,14H2,1-2H3
InChIKeyPWLFCCJIMGNZKG-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

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Related Compounds

N-[[3-(3-methylphenoxy)phenyl]methyl]ethanamine
CID 63942314
1-pentyl-3-(4-propylphenoxy)benzene
CID 58062247
N-[(3-propylphenyl)methyl]ethanamine
CID 59900553
N-[(3-butoxyphenyl)methyl]ethanamine
CID 43278316
1-(3-iodopropyl)-3-(4-propylphenoxy)benzene
CID 25223077
N-[[3-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]ethanamine
CID 63943697
[3-(ethylaminomethyl)phenyl] hypochlorite
CID 163518139
N-[[3-chloro-4-(4-propylphenoxy)phenyl]methyl]ethanamine
CID 81151266
1-fluoro-4-(3-propylphenoxy)benzene
CID 54416846
N-ethyl-2-[(3-phenoxyphenyl)methylamino]acetamide
CID 43398912
1-methoxy-3-(3-propylphenoxy)benzene
CID 153343611
N-[(3-butan-2-yloxyphenyl)methyl]ethanamine
CID 43278347

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-propylphenoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-(4-propylphenoxy)phenyl]methyl]ethanamine (CID 63942334) is N-[[3-(4-propylphenoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(4-propylphenoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-(4-propylphenoxy)phenyl]methyl]ethanamine is CCCc1ccc(Oc2cccc(CNCC)c2)cc1.
What is the InChIKey of N-[[3-(4-propylphenoxy)phenyl]methyl]ethanamine?
The InChIKey is PWLFCCJIMGNZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-3-6-15-9-11-17(12-10-15)20-18-8-5-7-16(13-18)14-19-4-2/h5,7-13,19H,3-4,6,14H2,1-2H3.
What are the key properties of N-[[3-(4-propylphenoxy)phenyl]methyl]ethanamine?
N-[[3-(4-propylphenoxy)phenyl]methyl]ethanamine 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-[[3-(4-propylphenoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 63942334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).