3-morpholin-4-yl-N-[1-(oxan-4-yl)ethyl]aniline

C17H26N2O2 — CID 75497897

IUPAC3-morpholin-4-yl-N-[1-(oxan-4-yl)ethyl]aniline
SMILESCC(Nc1cccc(N2CCOCC2)c1)C1CCOCC1
InChIInChI=1S/C17H26N2O2/c1-14(15-5-9-20-10-6-15)18-16-3-2-4-17(13-16)19-7-11-21-12-8-19/h2-4,13-15,18H,5-12H2,1H3
InChIKeyCWSGSHGVJZCLSH-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.75
Rot. Bonds4

About 3-morpholin-4-yl-N-[1-(oxan-4-yl)ethyl]aniline

3-morpholin-4-yl-N-[1-(oxan-4-yl)ethyl]aniline (PubChem CID 75497897) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-morpholin-4-yl-N-[1-(oxan-4-yl)ethyl]aniline.

Molecular Properties

Compound Name3-morpholin-4-yl-N-[1-(oxan-4-yl)ethyl]aniline
PubChem CID75497897
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-morpholin-4-yl-N-[1-(oxan-4-yl)ethyl]aniline
SMILESCC(Nc1cccc(N2CCOCC2)c1)C1CCOCC1
InChIInChI=1S/C17H26N2O2/c1-14(15-5-9-20-10-6-15)18-16-3-2-4-17(13-16)19-7-11-21-12-8-19/h2-4,13-15,18H,5-12H2,1H3
InChIKeyCWSGSHGVJZCLSH-UHFFFAOYSA-N
XLogP2.75
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyclopentylethyl)-3-pyrrolidin-1-ylaniline
CID 62632471
3-iodo-N-[1-(oxan-4-yl)ethyl]aniline
CID 115928305
1-[3-[1-(oxolan-3-yl)ethylamino]phenyl]pyrrolidin-2-one
CID 115917292
N-ethyl-3-morpholin-4-ylaniline
CID 22605665
3-[3-(1-cyclohexylethylamino)phenyl]-1,3-oxazolidin-2-one
CID 43787434
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-morpholin-4-ylaniline
CID 167822387
4-N-[1-(oxan-4-yl)ethyl]benzene-1,2,4-triamine
CID 114115072
N,N-dimethyl-1-[3-(oxan-4-ylamino)phenyl]piperidin-4-amine
CID 141355908
N-pentan-3-yl-3-pyrrolidin-1-ylaniline
CID 54864371
1-[[3-[1-(oxan-4-yl)ethylamino]phenyl]methyl]piperidine-4-carboxamide
CID 86782658
N-(1-cyclopropylethyl)-2-morpholin-4-ylaniline
CID 43717242
N-[1-(oxolan-3-yl)ethyl]-3-(pyrrolidin-1-ylmethyl)aniline
CID 115918177

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-N-[1-(oxan-4-yl)ethyl]aniline?
The IUPAC name of 3-morpholin-4-yl-N-[1-(oxan-4-yl)ethyl]aniline (CID 75497897) is 3-morpholin-4-yl-N-[1-(oxan-4-yl)ethyl]aniline.
What is the SMILES notation for 3-morpholin-4-yl-N-[1-(oxan-4-yl)ethyl]aniline?
The canonical SMILES for 3-morpholin-4-yl-N-[1-(oxan-4-yl)ethyl]aniline is CC(Nc1cccc(N2CCOCC2)c1)C1CCOCC1.
What is the InChIKey of 3-morpholin-4-yl-N-[1-(oxan-4-yl)ethyl]aniline?
The InChIKey is CWSGSHGVJZCLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-14(15-5-9-20-10-6-15)18-16-3-2-4-17(13-16)19-7-11-21-12-8-19/h2-4,13-15,18H,5-12H2,1H3.
What are the key properties of 3-morpholin-4-yl-N-[1-(oxan-4-yl)ethyl]aniline?
3-morpholin-4-yl-N-[1-(oxan-4-yl)ethyl]aniline has a molecular weight of 290.41 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-N-[1-(oxan-4-yl)ethyl]aniline is sourced from PubChem (CID 75497897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).