N-(oxan-3-ylmethyl)-2-propylaniline

C15H23NO — CID 63737543

IUPACN-(oxan-3-ylmethyl)-2-propylaniline
SMILESCCCc1ccccc1NCC1CCCOC1
InChIInChI=1S/C15H23NO/c1-2-6-14-8-3-4-9-15(14)16-11-13-7-5-10-17-12-13/h3-4,8-9,13,16H,2,5-7,10-12H2,1H3
InChIKeyNRYBXDVAJPHRTL-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.48
Rot. Bonds5

About N-(oxan-3-ylmethyl)-2-propylaniline

N-(oxan-3-ylmethyl)-2-propylaniline (PubChem CID 63737543) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-(oxan-3-ylmethyl)-2-propylaniline.

Molecular Properties

Compound NameN-(oxan-3-ylmethyl)-2-propylaniline
PubChem CID63737543
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-(oxan-3-ylmethyl)-2-propylaniline
SMILESCCCc1ccccc1NCC1CCCOC1
InChIInChI=1S/C15H23NO/c1-2-6-14-8-3-4-9-15(14)16-11-13-7-5-10-17-12-13/h3-4,8-9,13,16H,2,5-7,10-12H2,1H3
InChIKeyNRYBXDVAJPHRTL-UHFFFAOYSA-N
XLogP3.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(oxan-3-ylmethyl)-2-(pyrazol-1-ylmethyl)aniline
CID 63740904
N-(oxan-3-ylmethyl)-2-propylsulfonylaniline
CID 61020152
1-[2-(oxan-3-ylmethylamino)phenyl]ethanol
CID 63739863
2-methyl-N-(oxan-3-ylmethyl)-5-propylpyrimidin-4-amine
CID 134698138
2-methyl-3-(oxan-3-ylmethylamino)benzenesulfonamide
CID 55242224
N-[2-methyl-3-(oxan-3-ylmethylamino)phenyl]propanamide
CID 63739677
N-(oxan-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline
CID 63740369
N-(oxolan-3-ylmethyl)-2-(trifluoromethyl)aniline
CID 43191959
N,2-dimethyl-3-(oxan-3-ylmethylamino)benzamide
CID 63740558
3-[2-(oxan-3-ylmethylamino)phenoxy]propanamide
CID 63741794
2-fluoro-6-(oxan-3-ylmethylamino)benzonitrile
CID 61037918
2,6-dichloro-N-(oxan-3-ylmethyl)aniline
CID 65469527

Frequently Asked Questions

What is the IUPAC name of N-(oxan-3-ylmethyl)-2-propylaniline?
The IUPAC name of N-(oxan-3-ylmethyl)-2-propylaniline (CID 63737543) is N-(oxan-3-ylmethyl)-2-propylaniline.
What is the SMILES notation for N-(oxan-3-ylmethyl)-2-propylaniline?
The canonical SMILES for N-(oxan-3-ylmethyl)-2-propylaniline is CCCc1ccccc1NCC1CCCOC1.
What is the InChIKey of N-(oxan-3-ylmethyl)-2-propylaniline?
The InChIKey is NRYBXDVAJPHRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-2-6-14-8-3-4-9-15(14)16-11-13-7-5-10-17-12-13/h3-4,8-9,13,16H,2,5-7,10-12H2,1H3.
What are the key properties of N-(oxan-3-ylmethyl)-2-propylaniline?
N-(oxan-3-ylmethyl)-2-propylaniline has a molecular weight of 233.35 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-3-ylmethyl)-2-propylaniline is sourced from PubChem (CID 63737543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).