N-[1-(3-methoxyphenyl)ethyl]oxan-3-amine

C14H21NO2 — CID 55188770

IUPACN-[1-(3-methoxyphenyl)ethyl]oxan-3-amine
SMILESCOc1cccc(C(C)NC2CCCOC2)c1
InChIInChI=1S/C14H21NO2/c1-11(15-13-6-4-8-17-10-13)12-5-3-7-14(9-12)16-2/h3,5,7,9,11,13,15H,4,6,8,10H2,1-2H3
InChIKeyVSSJRCZBQDQLFM-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.52
Rot. Bonds4

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

N-[1-(3-methoxyphenyl)ethyl]oxan-3-amine (PubChem CID 55188770) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[1-(3-methoxyphenyl)ethyl]oxan-3-amine.

Molecular Properties

Compound NameN-[1-(3-methoxyphenyl)ethyl]oxan-3-amine
PubChem CID55188770
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-[1-(3-methoxyphenyl)ethyl]oxan-3-amine
SMILESCOc1cccc(C(C)NC2CCCOC2)c1
InChIInChI=1S/C14H21NO2/c1-11(15-13-6-4-8-17-10-13)12-5-3-7-14(9-12)16-2/h3,5,7,9,11,13,15H,4,6,8,10H2,1-2H3
InChIKeyVSSJRCZBQDQLFM-UHFFFAOYSA-N
XLogP2.52
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(3-methoxyphenyl)ethyl]oxetan-3-amine
CID 81375713
N-[(1R)-1-(3-methoxyphenyl)ethyl]oxan-4-amine
CID 81376724
(1R)-1-(3-methoxyphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 81376792
N-[(1S)-1-(3-methoxyphenyl)ethyl]azepan-4-amine
CID 103982575
N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyloxan-4-amine
CID 81376823
N-[1-(3-methoxyphenyl)ethyl]thian-4-amine
CID 54863730
N-[1-(3-methoxyphenyl)ethyl]-1-propan-2-ylazepan-4-amine
CID 65073855
N-[1-(3,4,5-trimethoxyphenyl)ethyl]oxan-3-amine
CID 63359921
N-[1-(2-methoxyphenyl)ethyl]oxan-3-amine
CID 63360273
N-[(1R)-1-(2-methoxyphenyl)ethyl]oxan-3-amine
CID 81397556
(1S)-1-(3-methoxyphenyl)-N-(oxan-4-ylmethyl)ethanamine
CID 81376149
4-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 81376641

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxyphenyl)ethyl]oxan-3-amine?
The IUPAC name of N-[1-(3-methoxyphenyl)ethyl]oxan-3-amine (CID 55188770) is N-[1-(3-methoxyphenyl)ethyl]oxan-3-amine.
What is the SMILES notation for N-[1-(3-methoxyphenyl)ethyl]oxan-3-amine?
The canonical SMILES for N-[1-(3-methoxyphenyl)ethyl]oxan-3-amine is COc1cccc(C(C)NC2CCCOC2)c1.
What is the InChIKey of N-[1-(3-methoxyphenyl)ethyl]oxan-3-amine?
The InChIKey is VSSJRCZBQDQLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11(15-13-6-4-8-17-10-13)12-5-3-7-14(9-12)16-2/h3,5,7,9,11,13,15H,4,6,8,10H2,1-2H3.
What are the key properties of N-[1-(3-methoxyphenyl)ethyl]oxan-3-amine?
N-[1-(3-methoxyphenyl)ethyl]oxan-3-amine has a molecular weight of 235.33 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxyphenyl)ethyl]oxan-3-amine is sourced from PubChem (CID 55188770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).