4-(1-morpholin-4-ylethyl)aniline

C12H18N2O — CID 50987527

IUPAC4-(1-morpholin-4-ylethyl)aniline
SMILESCC(c1ccc(N)cc1)N1CCOCC1
InChIInChI=1S/C12H18N2O/c1-10(14-6-8-15-9-7-14)11-2-4-12(13)5-3-11/h2-5,10H,6-9,13H2,1H3
InChIKeyKGNACZCVKXGKEX-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.66
Rot. Bonds2

About 4-(1-morpholin-4-ylethyl)aniline

4-(1-morpholin-4-ylethyl)aniline (PubChem CID 50987527) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 4-(1-morpholin-4-ylethyl)aniline.

Molecular Properties

Compound Name4-(1-morpholin-4-ylethyl)aniline
PubChem CID50987527
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name4-(1-morpholin-4-ylethyl)aniline
SMILESCC(c1ccc(N)cc1)N1CCOCC1
InChIInChI=1S/C12H18N2O/c1-10(14-6-8-15-9-7-14)11-2-4-12(13)5-3-11/h2-5,10H,6-9,13H2,1H3
InChIKeyKGNACZCVKXGKEX-UHFFFAOYSA-N
XLogP1.66
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

7,16-bis[(1R)-1-phenylethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 12990897
4-(1-phenylethyl)morpholine;hydrochloride
CID 3057369
4-[1-(4-ethylpiperazin-1-yl)ethyl]aniline
CID 61262027
4-[1-(4-nitrophenyl)ethyl]morpholine
CID 13398803
3-[1-(1,4-oxazepan-4-yl)ethyl]aniline
CID 62987222
4-N-(1-morpholin-4-ylethyl)benzene-1,4-diamine
CID 67412616
(2R)-2-amino-N-[4-(1-morpholin-4-ylethyl)phenyl]propanamide
CID 119878404
4-[(1S)-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]morpholine
CID 126430266
4-[(1R)-1-[4-(2,6-dimethyl-4-pyridinyl)phenyl]ethyl]morpholine
CID 125442567
2-amino-2-methyl-N-[4-(1-morpholin-4-ylethyl)phenyl]propanamide
CID 119878378
4-[(1S)-1-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]ethyl]morpholine
CID 126434299
3-methyl-4-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]-1-phenylpyrazol-5-amine
CID 95230472

Frequently Asked Questions

What is the IUPAC name of 4-(1-morpholin-4-ylethyl)aniline?
The IUPAC name of 4-(1-morpholin-4-ylethyl)aniline (CID 50987527) is 4-(1-morpholin-4-ylethyl)aniline.
What is the SMILES notation for 4-(1-morpholin-4-ylethyl)aniline?
The canonical SMILES for 4-(1-morpholin-4-ylethyl)aniline is CC(c1ccc(N)cc1)N1CCOCC1.
What is the InChIKey of 4-(1-morpholin-4-ylethyl)aniline?
The InChIKey is KGNACZCVKXGKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-10(14-6-8-15-9-7-14)11-2-4-12(13)5-3-11/h2-5,10H,6-9,13H2,1H3.
What are the key properties of 4-(1-morpholin-4-ylethyl)aniline?
4-(1-morpholin-4-ylethyl)aniline has a molecular weight of 206.29 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-morpholin-4-ylethyl)aniline is sourced from PubChem (CID 50987527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).