3-(oxolan-2-ylmethoxy)-N-[2-(4-propan-2-ylphenoxy)propyl]aniline

C23H31NO3 — CID 46736356

IUPAC3-(oxolan-2-ylmethoxy)-N-[2-(4-propan-2-ylphenoxy)propyl]aniline
SMILESCC(CNc1cccc(OCC2CCCO2)c1)Oc1ccc(C(C)C)cc1
InChIInChI=1S/C23H31NO3/c1-17(2)19-9-11-21(12-10-19)27-18(3)15-24-20-6-4-7-22(14-20)26-16-23-8-5-13-25-23/h4,6-7,9-12,14,17-18,23-24H,5,8,13,15-16H2,1-3H3
InChIKeyOZCRGGPSQZMBPR-UHFFFAOYSA-N
MW369.51 g/mol
LogP5.25
Rot. Bonds9

About 3-(oxolan-2-ylmethoxy)-N-[2-(4-propan-2-ylphenoxy)propyl]aniline

3-(oxolan-2-ylmethoxy)-N-[2-(4-propan-2-ylphenoxy)propyl]aniline (PubChem CID 46736356) has the molecular formula C23H31NO3 and a molecular weight of 369.51 g/mol. Its IUPAC name is 3-(oxolan-2-ylmethoxy)-N-[2-(4-propan-2-ylphenoxy)propyl]aniline.

Molecular Properties

Compound Name3-(oxolan-2-ylmethoxy)-N-[2-(4-propan-2-ylphenoxy)propyl]aniline
PubChem CID46736356
Molecular FormulaC23H31NO3
Molecular Weight369.51 g/mol
Exact Mass369.23
IUPAC Name3-(oxolan-2-ylmethoxy)-N-[2-(4-propan-2-ylphenoxy)propyl]aniline
SMILESCC(CNc1cccc(OCC2CCCO2)c1)Oc1ccc(C(C)C)cc1
InChIInChI=1S/C23H31NO3/c1-17(2)19-9-11-21(12-10-19)27-18(3)15-24-20-6-4-7-22(14-20)26-16-23-8-5-13-25-23/h4,6-7,9-12,14,17-18,23-24H,5,8,13,15-16H2,1-3H3
InChIKeyOZCRGGPSQZMBPR-UHFFFAOYSA-N
XLogP5.25
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.51
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(oxolan-2-ylmethoxy)-N-[2-(4-propan-2-ylphenoxy)ethyl]aniline
CID 54799699
N-[[3-(2-methylpropoxy)phenyl]methyl]-3-(oxolan-2-ylmethoxy)aniline
CID 54802595
2-[(7-propan-2-ylnaphthalen-2-yl)oxymethyl]oxolane
CID 90144658
2-[3-(2-methylpropoxy)anilino]-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54823634
[4-[[3-(oxolan-2-ylmethoxy)anilino]methyl]phenyl]methanol
CID 110006486
N-[2-(4-chloro-2-methylphenoxy)ethyl]-3-(oxolan-2-ylmethoxy)aniline
CID 54802200
N-[(2-butoxyphenyl)methyl]-3-(oxolan-2-ylmethoxy)aniline
CID 54802241
N-[2-(oxolan-2-ylmethoxy)propyl]aniline
CID 55088776
3-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide
CID 119713717
2-[(3-tert-butylphenoxy)methyl]oxolane
CID 59734486
N-(2,6-dimethylphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828585
N-[3-(3-methylbutoxy)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828556

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-ylmethoxy)-N-[2-(4-propan-2-ylphenoxy)propyl]aniline?
The IUPAC name of 3-(oxolan-2-ylmethoxy)-N-[2-(4-propan-2-ylphenoxy)propyl]aniline (CID 46736356) is 3-(oxolan-2-ylmethoxy)-N-[2-(4-propan-2-ylphenoxy)propyl]aniline.
What is the SMILES notation for 3-(oxolan-2-ylmethoxy)-N-[2-(4-propan-2-ylphenoxy)propyl]aniline?
The canonical SMILES for 3-(oxolan-2-ylmethoxy)-N-[2-(4-propan-2-ylphenoxy)propyl]aniline is CC(CNc1cccc(OCC2CCCO2)c1)Oc1ccc(C(C)C)cc1.
What is the InChIKey of 3-(oxolan-2-ylmethoxy)-N-[2-(4-propan-2-ylphenoxy)propyl]aniline?
The InChIKey is OZCRGGPSQZMBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO3/c1-17(2)19-9-11-21(12-10-19)27-18(3)15-24-20-6-4-7-22(14-20)26-16-23-8-5-13-25-23/h4,6-7,9-12,14,17-18,23-24H,5,8,13,15-16H2,1-3H3.
What are the key properties of 3-(oxolan-2-ylmethoxy)-N-[2-(4-propan-2-ylphenoxy)propyl]aniline?
3-(oxolan-2-ylmethoxy)-N-[2-(4-propan-2-ylphenoxy)propyl]aniline has a molecular weight of 369.51 g/mol, XLogP of 5.25, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-ylmethoxy)-N-[2-(4-propan-2-ylphenoxy)propyl]aniline is sourced from PubChem (CID 46736356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).