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

C16H26N2O2 — CID 61431598

IUPAC4-ethoxy-3-[[methyl(oxan-2-ylmethyl)amino]methyl]aniline
SMILESCCOc1ccc(N)cc1CN(C)CC1CCCCO1
InChIInChI=1S/C16H26N2O2/c1-3-19-16-8-7-14(17)10-13(16)11-18(2)12-15-6-4-5-9-20-15/h7-8,10,15H,3-6,9,11-12,17H2,1-2H3
InChIKeyVOXINUJZJUGEGD-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.67
Rot. Bonds6

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

4-ethoxy-3-[[methyl(oxan-2-ylmethyl)amino]methyl]aniline (PubChem CID 61431598) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-ethoxy-3-[[methyl(oxan-2-ylmethyl)amino]methyl]aniline.

Molecular Properties

Compound Name4-ethoxy-3-[[methyl(oxan-2-ylmethyl)amino]methyl]aniline
PubChem CID61431598
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name4-ethoxy-3-[[methyl(oxan-2-ylmethyl)amino]methyl]aniline
SMILESCCOc1ccc(N)cc1CN(C)CC1CCCCO1
InChIInChI=1S/C16H26N2O2/c1-3-19-16-8-7-14(17)10-13(16)11-18(2)12-15-6-4-5-9-20-15/h7-8,10,15H,3-6,9,11-12,17H2,1-2H3
InChIKeyVOXINUJZJUGEGD-UHFFFAOYSA-N
XLogP2.67
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[cyclobutylmethyl(methyl)amino]methyl]-4-ethoxyaniline
CID 62861106
[2-ethoxy-5-[[methyl(oxan-2-ylmethyl)amino]methyl]phenyl]methanol
CID 77090517
[2-ethoxy-5-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]phenyl]methanol
CID 99940029
4-ethoxy-3-(oxan-2-ylmethoxymethyl)aniline
CID 43260061
4-chloro-3-[[methyl(oxolan-2-ylmethyl)amino]methyl]aniline
CID 61430964
4-[[methyl(oxan-2-ylmethyl)amino]methyl]-3-(trifluoromethyl)aniline
CID 81116723
5-amino-2-ethoxy-N-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 61436327
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-(oxan-2-yl)methanamine
CID 86911707
2-[[methyl(oxan-2-ylmethyl)amino]methyl]aniline
CID 43591938
3-[[cyclopropylmethyl(ethyl)amino]methyl]-4-ethoxyaniline
CID 63955929
N-[(5-amino-2-ethoxyphenyl)methyl]-N-methyloxan-4-amine
CID 43610736
2-bromo-6-ethoxy-4-[[methyl(oxan-2-ylmethyl)amino]methyl]phenol
CID 82958626

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-[[methyl(oxan-2-ylmethyl)amino]methyl]aniline?
The IUPAC name of 4-ethoxy-3-[[methyl(oxan-2-ylmethyl)amino]methyl]aniline (CID 61431598) is 4-ethoxy-3-[[methyl(oxan-2-ylmethyl)amino]methyl]aniline.
What is the SMILES notation for 4-ethoxy-3-[[methyl(oxan-2-ylmethyl)amino]methyl]aniline?
The canonical SMILES for 4-ethoxy-3-[[methyl(oxan-2-ylmethyl)amino]methyl]aniline is CCOc1ccc(N)cc1CN(C)CC1CCCCO1.
What is the InChIKey of 4-ethoxy-3-[[methyl(oxan-2-ylmethyl)amino]methyl]aniline?
The InChIKey is VOXINUJZJUGEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-3-19-16-8-7-14(17)10-13(16)11-18(2)12-15-6-4-5-9-20-15/h7-8,10,15H,3-6,9,11-12,17H2,1-2H3.
What are the key properties of 4-ethoxy-3-[[methyl(oxan-2-ylmethyl)amino]methyl]aniline?
4-ethoxy-3-[[methyl(oxan-2-ylmethyl)amino]methyl]aniline has a molecular weight of 278.40 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-[[methyl(oxan-2-ylmethyl)amino]methyl]aniline is sourced from PubChem (CID 61431598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).