4-butyl-N-(oxan-2-ylmethyl)aniline

C16H25NO — CID 43403485

IUPAC4-butyl-N-(oxan-2-ylmethyl)aniline
SMILESCCCCc1ccc(NCC2CCCCO2)cc1
InChIInChI=1S/C16H25NO/c1-2-3-6-14-8-10-15(11-9-14)17-13-16-7-4-5-12-18-16/h8-11,16-17H,2-7,12-13H2,1H3
InChIKeySVNHMVPJONQCHU-UHFFFAOYSA-N
MW247.38 g/mol
LogP4.01
Rot. Bonds6

About 4-butyl-N-(oxan-2-ylmethyl)aniline

4-butyl-N-(oxan-2-ylmethyl)aniline (PubChem CID 43403485) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 4-butyl-N-(oxan-2-ylmethyl)aniline.

Molecular Properties

Compound Name4-butyl-N-(oxan-2-ylmethyl)aniline
PubChem CID43403485
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name4-butyl-N-(oxan-2-ylmethyl)aniline
SMILESCCCCc1ccc(NCC2CCCCO2)cc1
InChIInChI=1S/C16H25NO/c1-2-3-6-14-8-10-15(11-9-14)17-13-16-7-4-5-12-18-16/h8-11,16-17H,2-7,12-13H2,1H3
InChIKeySVNHMVPJONQCHU-UHFFFAOYSA-N
XLogP4.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-butyl-N-(oxan-2-ylmethyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-iodo-N-(oxan-2-ylmethyl)aniline
CID 43403484
1-(4-butylphenyl)-N-(oxolan-2-ylmethyl)ethanamine
CID 43111276
[4-(oxolan-2-ylmethylamino)phenyl]methanol
CID 83962258
1-[4-(oxan-2-ylmethylamino)phenyl]ethanone
CID 115574155
N-[3-(oxolan-2-yl)propyl]-4-propylaniline
CID 65163877
4-butyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 19682480
1-[4-[[(2R)-oxolan-2-yl]methylamino]phenyl]butan-1-one
CID 25127473
4-(2-aminopropyl)-N-(oxolan-2-ylmethyl)aniline
CID 143867362
3-(3-chloropropyl)-N-(oxan-2-ylmethyl)aniline
CID 113397839
1-(4-butylphenyl)-3-(oxan-2-yl)propan-1-amine
CID 63952731
N-[(4-aminocyclohexyl)methyl]-4-butylaniline
CID 59549626
N-[4-(oxolan-2-ylmethylamino)phenyl]butanamide
CID 112981160

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-(oxan-2-ylmethyl)aniline?
The IUPAC name of 4-butyl-N-(oxan-2-ylmethyl)aniline (CID 43403485) is 4-butyl-N-(oxan-2-ylmethyl)aniline.
What is the SMILES notation for 4-butyl-N-(oxan-2-ylmethyl)aniline?
The canonical SMILES for 4-butyl-N-(oxan-2-ylmethyl)aniline is CCCCc1ccc(NCC2CCCCO2)cc1.
What is the InChIKey of 4-butyl-N-(oxan-2-ylmethyl)aniline?
The InChIKey is SVNHMVPJONQCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-2-3-6-14-8-10-15(11-9-14)17-13-16-7-4-5-12-18-16/h8-11,16-17H,2-7,12-13H2,1H3.
What are the key properties of 4-butyl-N-(oxan-2-ylmethyl)aniline?
4-butyl-N-(oxan-2-ylmethyl)aniline has a molecular weight of 247.38 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-(oxan-2-ylmethyl)aniline is sourced from PubChem (CID 43403485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).