4-[2-[methyl(oxan-3-ylmethyl)amino]ethoxy]aniline

C15H24N2O2 — CID 63726412

IUPAC4-[2-[methyl(oxan-3-ylmethyl)amino]ethoxy]aniline
SMILESCN(CCOc1ccc(N)cc1)CC1CCCOC1
InChIInChI=1S/C15H24N2O2/c1-17(11-13-3-2-9-18-12-13)8-10-19-15-6-4-14(16)5-7-15/h4-7,13H,2-3,8-12,16H2,1H3
InChIKeyUDIRFRQSRIQQRP-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.01
Rot. Bonds6

About 4-[2-[methyl(oxan-3-ylmethyl)amino]ethoxy]aniline

4-[2-[methyl(oxan-3-ylmethyl)amino]ethoxy]aniline (PubChem CID 63726412) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-[2-[methyl(oxan-3-ylmethyl)amino]ethoxy]aniline.

Molecular Properties

Compound Name4-[2-[methyl(oxan-3-ylmethyl)amino]ethoxy]aniline
PubChem CID63726412
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name4-[2-[methyl(oxan-3-ylmethyl)amino]ethoxy]aniline
SMILESCN(CCOc1ccc(N)cc1)CC1CCCOC1
InChIInChI=1S/C15H24N2O2/c1-17(11-13-3-2-9-18-12-13)8-10-19-15-6-4-14(16)5-7-15/h4-7,13H,2-3,8-12,16H2,1H3
InChIKeyUDIRFRQSRIQQRP-UHFFFAOYSA-N
XLogP2.01
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[2-[methyl(oxolan-2-ylmethyl)amino]ethoxy]aniline
CID 61431012
4-[3-[cyclohexylmethyl(methyl)amino]propoxy]aniline
CID 61444128
2-[4-[2-[cyclobutylmethyl(methyl)amino]ethoxy]phenyl]ethanamine
CID 62860390
4-methoxy-2-[[methyl(oxan-3-ylmethyl)amino]methyl]aniline
CID 115414154
N-methyl-3-(2-methylphenoxy)-N-[[(3S)-oxan-3-yl]methyl]propan-1-amine
CID 124548860
4-[1-[methyl(oxan-3-ylmethyl)amino]ethyl]aniline
CID 63726580
3-methoxy-4-[[methyl(oxan-3-ylmethyl)amino]methyl]aniline
CID 107208438
4-[2-[methyl(oxan-4-ylmethyl)amino]ethoxy]benzenecarbothioamide
CID 63712202
oxolan-3-ylmethyl 3-(4-aminophenoxy)propanoate
CID 61316757
N-[2-(4-aminophenoxy)ethyl]-N-methylcyclooctanamine
CID 89350544
4-[2-[cyclopentylmethyl(methyl)amino]ethoxy]benzoic acid
CID 63630897
3-[[methyl(oxan-3-ylmethyl)amino]methyl]naphthalen-2-amine
CID 63706552

Frequently Asked Questions

What is the IUPAC name of 4-[2-[methyl(oxan-3-ylmethyl)amino]ethoxy]aniline?
The IUPAC name of 4-[2-[methyl(oxan-3-ylmethyl)amino]ethoxy]aniline (CID 63726412) is 4-[2-[methyl(oxan-3-ylmethyl)amino]ethoxy]aniline.
What is the SMILES notation for 4-[2-[methyl(oxan-3-ylmethyl)amino]ethoxy]aniline?
The canonical SMILES for 4-[2-[methyl(oxan-3-ylmethyl)amino]ethoxy]aniline is CN(CCOc1ccc(N)cc1)CC1CCCOC1.
What is the InChIKey of 4-[2-[methyl(oxan-3-ylmethyl)amino]ethoxy]aniline?
The InChIKey is UDIRFRQSRIQQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-17(11-13-3-2-9-18-12-13)8-10-19-15-6-4-14(16)5-7-15/h4-7,13H,2-3,8-12,16H2,1H3.
What are the key properties of 4-[2-[methyl(oxan-3-ylmethyl)amino]ethoxy]aniline?
4-[2-[methyl(oxan-3-ylmethyl)amino]ethoxy]aniline has a molecular weight of 264.37 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[methyl(oxan-3-ylmethyl)amino]ethoxy]aniline is sourced from PubChem (CID 63726412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).