4-(2-aminoethyl)-N-[3-(oxan-2-yloxy)propyl]aniline

C16H26N2O2 — CID 147793748

IUPAC4-(2-aminoethyl)-N-[3-(oxan-2-yloxy)propyl]aniline
SMILESNCCc1ccc(NCCCOC2CCCCO2)cc1
InChIInChI=1S/C16H26N2O2/c17-10-9-14-5-7-15(8-6-14)18-11-3-13-20-16-4-1-2-12-19-16/h5-8,16,18H,1-4,9-13,17H2
InChIKeyHKDPNGQZVGSEBR-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.53
Rot. Bonds8

About 4-(2-aminoethyl)-N-[3-(oxan-2-yloxy)propyl]aniline

4-(2-aminoethyl)-N-[3-(oxan-2-yloxy)propyl]aniline (PubChem CID 147793748) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-[3-(oxan-2-yloxy)propyl]aniline.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-[3-(oxan-2-yloxy)propyl]aniline
PubChem CID147793748
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name4-(2-aminoethyl)-N-[3-(oxan-2-yloxy)propyl]aniline
SMILESNCCc1ccc(NCCCOC2CCCCO2)cc1
InChIInChI=1S/C16H26N2O2/c17-10-9-14-5-7-15(8-6-14)18-11-3-13-20-16-4-1-2-12-19-16/h5-8,16,18H,1-4,9-13,17H2
InChIKeyHKDPNGQZVGSEBR-UHFFFAOYSA-N
XLogP2.53
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[4-(trifluoromethyl)phenyl]propoxy]oxane
CID 118808170
4-[4-[2-(oxan-2-yloxy)ethoxy]phenyl]butan-1-amine
CID 67378314
12-(oxan-2-yloxy)dodecan-1-amine
CID 170028710
2-[11-[4-(4-phenylphenyl)phenyl]undecoxy]oxane
CID 86055226
tert-butyl-dimethyl-[4-[3-(oxan-2-yloxy)propyl]phenoxy]silane
CID 11473578
[4-[2-[(2S)-oxan-2-yl]oxyethyl]phenyl]methanol
CID 129389896
4-[6-[(2R)-oxan-2-yl]oxyhexyl]pyridine
CID 129363635
4-[6-[(2S)-oxan-2-yl]oxyhexyl]pyridine
CID 129363636
6-bromo-N-[3-(oxan-2-yloxy)propyl]pyridin-2-amine
CID 18771920
[1-[[4-[2-(oxan-2-yloxy)ethyl]phenyl]methyl]cyclopentyl]methanamine
CID 18999475
4-[2-[(2S)-oxan-2-yl]oxyethyl]benzaldehyde
CID 86333516
2-[5-[5-(oxan-2-yloxy)pentoxy]pentoxy]oxane
CID 155771365

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-[3-(oxan-2-yloxy)propyl]aniline?
The IUPAC name of 4-(2-aminoethyl)-N-[3-(oxan-2-yloxy)propyl]aniline (CID 147793748) is 4-(2-aminoethyl)-N-[3-(oxan-2-yloxy)propyl]aniline.
What is the SMILES notation for 4-(2-aminoethyl)-N-[3-(oxan-2-yloxy)propyl]aniline?
The canonical SMILES for 4-(2-aminoethyl)-N-[3-(oxan-2-yloxy)propyl]aniline is NCCc1ccc(NCCCOC2CCCCO2)cc1.
What is the InChIKey of 4-(2-aminoethyl)-N-[3-(oxan-2-yloxy)propyl]aniline?
The InChIKey is HKDPNGQZVGSEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c17-10-9-14-5-7-15(8-6-14)18-11-3-13-20-16-4-1-2-12-19-16/h5-8,16,18H,1-4,9-13,17H2.
What are the key properties of 4-(2-aminoethyl)-N-[3-(oxan-2-yloxy)propyl]aniline?
4-(2-aminoethyl)-N-[3-(oxan-2-yloxy)propyl]aniline has a molecular weight of 278.40 g/mol, XLogP of 2.53, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-[3-(oxan-2-yloxy)propyl]aniline is sourced from PubChem (CID 147793748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).