N-[1-(4-methoxyphenyl)propyl]oxan-3-amine

C15H23NO2 — CID 63359865

IUPACN-[1-(4-methoxyphenyl)propyl]oxan-3-amine
SMILESCCC(NC1CCCOC1)c1ccc(OC)cc1
InChIInChI=1S/C15H23NO2/c1-3-15(16-13-5-4-10-18-11-13)12-6-8-14(17-2)9-7-12/h6-9,13,15-16H,3-5,10-11H2,1-2H3
InChIKeyIIDNEJRIHAVFOA-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.91
Rot. Bonds5

About N-[1-(4-methoxyphenyl)propyl]oxan-3-amine

N-[1-(4-methoxyphenyl)propyl]oxan-3-amine (PubChem CID 63359865) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)propyl]oxan-3-amine.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)propyl]oxan-3-amine
PubChem CID63359865
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-[1-(4-methoxyphenyl)propyl]oxan-3-amine
SMILESCCC(NC1CCCOC1)c1ccc(OC)cc1
InChIInChI=1S/C15H23NO2/c1-3-15(16-13-5-4-10-18-11-13)12-6-8-14(17-2)9-7-12/h6-9,13,15-16H,3-5,10-11H2,1-2H3
InChIKeyIIDNEJRIHAVFOA-UHFFFAOYSA-N
XLogP2.91
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-fluorophenyl)propyl]oxan-3-amine
CID 63360091
N-[1-(2-methoxyphenyl)propyl]oxan-3-amine
CID 63359926
3-methoxy-N-[1-(4-methoxyphenyl)propyl]cyclohexan-1-amine
CID 103904067
N-cyclobutyl-1-(4-methoxyphenyl)ethane-1,2-diamine
CID 105476319
N-[1-(4-methoxyphenyl)propyl]pyrrolidin-3-amine
CID 79730821
2-[1-(oxan-3-ylamino)propyl]phenol
CID 63359773
N-[(4-methoxyphenyl)methyl]oxan-3-amine
CID 63360174
N-[1-(4-methoxyphenyl)propyl]-2-methylcyclohexan-1-amine
CID 43080624
N-[1-(3-methoxyphenyl)ethyl]oxan-3-amine
CID 55188770
N-[1-(4-methoxyphenyl)propyl]-1-propylpiperidin-4-amine
CID 43183002
N-[1-[4-(2-methylpropoxy)phenyl]ethyl]oxan-3-amine
CID 63360332
N-[1-(3,4,5-trimethoxyphenyl)ethyl]oxan-3-amine
CID 63359921

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)propyl]oxan-3-amine?
The IUPAC name of N-[1-(4-methoxyphenyl)propyl]oxan-3-amine (CID 63359865) is N-[1-(4-methoxyphenyl)propyl]oxan-3-amine.
What is the SMILES notation for N-[1-(4-methoxyphenyl)propyl]oxan-3-amine?
The canonical SMILES for N-[1-(4-methoxyphenyl)propyl]oxan-3-amine is CCC(NC1CCCOC1)c1ccc(OC)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)propyl]oxan-3-amine?
The InChIKey is IIDNEJRIHAVFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-15(16-13-5-4-10-18-11-13)12-6-8-14(17-2)9-7-12/h6-9,13,15-16H,3-5,10-11H2,1-2H3.
What are the key properties of N-[1-(4-methoxyphenyl)propyl]oxan-3-amine?
N-[1-(4-methoxyphenyl)propyl]oxan-3-amine has a molecular weight of 249.35 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)propyl]oxan-3-amine is sourced from PubChem (CID 63359865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).