1-[4-[[ethyl(oxan-4-ylmethyl)amino]methyl]phenyl]ethanone

C17H25NO2 — CID 50975505

IUPAC1-[4-[[ethyl(oxan-4-ylmethyl)amino]methyl]phenyl]ethanone
SMILESCCN(Cc1ccc(C(C)=O)cc1)CC1CCOCC1
InChIInChI=1S/C17H25NO2/c1-3-18(13-16-8-10-20-11-9-16)12-15-4-6-17(7-5-15)14(2)19/h4-7,16H,3,8-13H2,1-2H3
InChIKeyRLSKDEFLTLAKEX-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.14
Rot. Bonds6

About 1-[4-[[ethyl(oxan-4-ylmethyl)amino]methyl]phenyl]ethanone

1-[4-[[ethyl(oxan-4-ylmethyl)amino]methyl]phenyl]ethanone (PubChem CID 50975505) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-[4-[[ethyl(oxan-4-ylmethyl)amino]methyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[[ethyl(oxan-4-ylmethyl)amino]methyl]phenyl]ethanone
PubChem CID50975505
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-[4-[[ethyl(oxan-4-ylmethyl)amino]methyl]phenyl]ethanone
SMILESCCN(Cc1ccc(C(C)=O)cc1)CC1CCOCC1
InChIInChI=1S/C17H25NO2/c1-3-18(13-16-8-10-20-11-9-16)12-15-4-6-17(7-5-15)14(2)19/h4-7,16H,3,8-13H2,1-2H3
InChIKeyRLSKDEFLTLAKEX-UHFFFAOYSA-N
XLogP3.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[ethyl(oxan-4-ylmethyl)amino]methyl]phenyl]ethanone?
The IUPAC name of 1-[4-[[ethyl(oxan-4-ylmethyl)amino]methyl]phenyl]ethanone (CID 50975505) is 1-[4-[[ethyl(oxan-4-ylmethyl)amino]methyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[[ethyl(oxan-4-ylmethyl)amino]methyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[[ethyl(oxan-4-ylmethyl)amino]methyl]phenyl]ethanone is CCN(Cc1ccc(C(C)=O)cc1)CC1CCOCC1.
What is the InChIKey of 1-[4-[[ethyl(oxan-4-ylmethyl)amino]methyl]phenyl]ethanone?
The InChIKey is RLSKDEFLTLAKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-3-18(13-16-8-10-20-11-9-16)12-15-4-6-17(7-5-15)14(2)19/h4-7,16H,3,8-13H2,1-2H3.
What are the key properties of 1-[4-[[ethyl(oxan-4-ylmethyl)amino]methyl]phenyl]ethanone?
1-[4-[[ethyl(oxan-4-ylmethyl)amino]methyl]phenyl]ethanone has a molecular weight of 275.39 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[ethyl(oxan-4-ylmethyl)amino]methyl]phenyl]ethanone is sourced from PubChem (CID 50975505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).