N-[2-(oxolan-2-ylmethoxy)propyl]aniline

C14H21NO2 — CID 55088776

IUPACN-[2-(oxolan-2-ylmethoxy)propyl]aniline
SMILESCC(CNc1ccccc1)OCC1CCCO1
InChIInChI=1S/C14H21NO2/c1-12(17-11-14-8-5-9-16-14)10-15-13-6-3-2-4-7-13/h2-4,6-7,12,14-15H,5,8-11H2,1H3
InChIKeyCMURBYYUILTWOJ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.68
Rot. Bonds6

About N-[2-(oxolan-2-ylmethoxy)propyl]aniline

N-[2-(oxolan-2-ylmethoxy)propyl]aniline (PubChem CID 55088776) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[2-(oxolan-2-ylmethoxy)propyl]aniline.

Molecular Properties

Compound NameN-[2-(oxolan-2-ylmethoxy)propyl]aniline
PubChem CID55088776
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-[2-(oxolan-2-ylmethoxy)propyl]aniline
SMILESCC(CNc1ccccc1)OCC1CCCO1
InChIInChI=1S/C14H21NO2/c1-12(17-11-14-8-5-9-16-14)10-15-13-6-3-2-4-7-13/h2-4,6-7,12,14-15H,5,8-11H2,1H3
InChIKeyCMURBYYUILTWOJ-UHFFFAOYSA-N
XLogP2.68
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(cyclohexylmethoxy)propyl]aniline
CID 62584399
N-[2-(oxolan-2-ylmethylsulfanyl)propyl]aniline
CID 106495831
N-[2-(oxolan-2-ylmethoxy)propyl]cyclopentanamine
CID 62572194
N-[2-(oxolan-2-ylmethoxy)propyl]cyclohexanamine
CID 62572342
1-(oxolan-2-ylmethoxy)-1-phenylpropan-2-amine
CID 55017321
3-(oxolan-2-ylmethoxy)-N-[2-(4-propan-2-ylphenoxy)propyl]aniline
CID 46736356
2-methyl-N-[2-(oxan-2-ylmethoxy)-2-phenylethyl]propan-1-amine
CID 62445664
(3R)-3-(oxolan-2-ylmethoxy)butanoic acid
CID 103547787
N-(3-ethoxypropyl)-2-(oxolan-2-ylmethoxy)propan-1-amine
CID 55088682
N-[2-(2,6-dimethylphenoxy)propyl]-2-(oxolan-2-ylmethoxy)aniline
CID 54802930
ethane;[(2S)-oxan-2-yl]methoxy-phenylmethanol
CID 143051501
N-[2-(oxan-2-ylmethoxy)-2-phenylethyl]cyclopropanamine
CID 62107918

Frequently Asked Questions

What is the IUPAC name of N-[2-(oxolan-2-ylmethoxy)propyl]aniline?
The IUPAC name of N-[2-(oxolan-2-ylmethoxy)propyl]aniline (CID 55088776) is N-[2-(oxolan-2-ylmethoxy)propyl]aniline.
What is the SMILES notation for N-[2-(oxolan-2-ylmethoxy)propyl]aniline?
The canonical SMILES for N-[2-(oxolan-2-ylmethoxy)propyl]aniline is CC(CNc1ccccc1)OCC1CCCO1.
What is the InChIKey of N-[2-(oxolan-2-ylmethoxy)propyl]aniline?
The InChIKey is CMURBYYUILTWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-12(17-11-14-8-5-9-16-14)10-15-13-6-3-2-4-7-13/h2-4,6-7,12,14-15H,5,8-11H2,1H3.
What are the key properties of N-[2-(oxolan-2-ylmethoxy)propyl]aniline?
N-[2-(oxolan-2-ylmethoxy)propyl]aniline has a molecular weight of 235.33 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxolan-2-ylmethoxy)propyl]aniline is sourced from PubChem (CID 55088776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).