N-[1-(oxan-4-yl)ethyl]-2-phenylpropan-1-amine

C16H25NO — CID 113259795

IUPACN-[1-(oxan-4-yl)ethyl]-2-phenylpropan-1-amine
SMILESCC(CNC(C)C1CCOCC1)c1ccccc1
InChIInChI=1S/C16H25NO/c1-13(15-6-4-3-5-7-15)12-17-14(2)16-8-10-18-11-9-16/h3-7,13-14,16-17H,8-12H2,1-2H3
InChIKeyLYMHJYIPEPFKIF-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.19
Rot. Bonds5

About N-[1-(oxan-4-yl)ethyl]-2-phenylpropan-1-amine

N-[1-(oxan-4-yl)ethyl]-2-phenylpropan-1-amine (PubChem CID 113259795) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[1-(oxan-4-yl)ethyl]-2-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(oxan-4-yl)ethyl]-2-phenylpropan-1-amine
PubChem CID113259795
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[1-(oxan-4-yl)ethyl]-2-phenylpropan-1-amine
SMILESCC(CNC(C)C1CCOCC1)c1ccccc1
InChIInChI=1S/C16H25NO/c1-13(15-6-4-3-5-7-15)12-17-14(2)16-8-10-18-11-9-16/h3-7,13-14,16-17H,8-12H2,1-2H3
InChIKeyLYMHJYIPEPFKIF-UHFFFAOYSA-N
XLogP3.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(dicyclopropylmethyl)-2-phenylpropan-1-amine
CID 43204178
1-(oxan-4-yl)-3-phenylbutan-1-ol
CID 63937274
N-[1-(oxolan-3-yl)ethyl]-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 115704704
N-(1-cyclopropylethyl)-2-phenylbutan-1-amine
CID 115676258
N-[(1S)-1-cyclopentylethyl]-3-methyl-2-phenylbutan-1-amine
CID 107876302
N-(oxan-4-ylmethyl)-3-phenylbutan-1-amine
CID 62986615
1-(oxan-4-yl)-N-[(2-phenyltriazol-4-yl)methyl]ethanamine
CID 103769065
2-[[(1R)-1-cyclohexylethyl]amino]-1-phenylethanol
CID 81386513
N'-(1-cyclopropylethyl)-N,N-diethyl-1-phenylethane-1,2-diamine
CID 43192161
N-[(1R)-1-cyclohexylethyl]-3-phenylbutan-1-amine
CID 81384381
N-(1-cyclohexylethyl)-3-methyl-2-phenylbutan-1-amine
CID 107876129
4-(1-phenylpropyl)oxane
CID 155461106

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxan-4-yl)ethyl]-2-phenylpropan-1-amine?
The IUPAC name of N-[1-(oxan-4-yl)ethyl]-2-phenylpropan-1-amine (CID 113259795) is N-[1-(oxan-4-yl)ethyl]-2-phenylpropan-1-amine.
What is the SMILES notation for N-[1-(oxan-4-yl)ethyl]-2-phenylpropan-1-amine?
The canonical SMILES for N-[1-(oxan-4-yl)ethyl]-2-phenylpropan-1-amine is CC(CNC(C)C1CCOCC1)c1ccccc1.
What is the InChIKey of N-[1-(oxan-4-yl)ethyl]-2-phenylpropan-1-amine?
The InChIKey is LYMHJYIPEPFKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-13(15-6-4-3-5-7-15)12-17-14(2)16-8-10-18-11-9-16/h3-7,13-14,16-17H,8-12H2,1-2H3.
What are the key properties of N-[1-(oxan-4-yl)ethyl]-2-phenylpropan-1-amine?
N-[1-(oxan-4-yl)ethyl]-2-phenylpropan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxan-4-yl)ethyl]-2-phenylpropan-1-amine is sourced from PubChem (CID 113259795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).