4-butyl-N-[1-(oxolan-3-yl)ethyl]aniline

C16H25NO — CID 115916962

IUPAC4-butyl-N-[1-(oxolan-3-yl)ethyl]aniline
SMILESCCCCc1ccc(NC(C)C2CCOC2)cc1
InChIInChI=1S/C16H25NO/c1-3-4-5-14-6-8-16(9-7-14)17-13(2)15-10-11-18-12-15/h6-9,13,15,17H,3-5,10-12H2,1-2H3
InChIKeySDDNRTYXOFDTLR-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.87
Rot. Bonds6

About 4-butyl-N-[1-(oxolan-3-yl)ethyl]aniline

4-butyl-N-[1-(oxolan-3-yl)ethyl]aniline (PubChem CID 115916962) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 4-butyl-N-[1-(oxolan-3-yl)ethyl]aniline.

Molecular Properties

Compound Name4-butyl-N-[1-(oxolan-3-yl)ethyl]aniline
PubChem CID115916962
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name4-butyl-N-[1-(oxolan-3-yl)ethyl]aniline
SMILESCCCCc1ccc(NC(C)C2CCOC2)cc1
InChIInChI=1S/C16H25NO/c1-3-4-5-14-6-8-16(9-7-14)17-13(2)15-10-11-18-12-15/h6-9,13,15,17H,3-5,10-12H2,1-2H3
InChIKeySDDNRTYXOFDTLR-UHFFFAOYSA-N
XLogP3.87
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 ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(1-methylpiperidin-4-yl)ethyl]-4-pentylaniline
CID 43308349
4-butyl-N-(dicyclopropylmethyl)aniline
CID 43362849
4-nitro-N-[1-(oxolan-3-yl)ethyl]aniline
CID 113350229
1-[4-[[4-[1-(oxolan-3-yl)ethylamino]phenyl]methyl]piperazin-1-yl]ethanone
CID 119050603
5-[(4-butylphenyl)sulfamoyl]-2-methyl-N-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]benzamide
CID 124737641
N-[1-(oxolan-3-yl)ethyl]-4-(trifluoromethoxy)aniline
CID 115916988
N-[(4-butoxyphenyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655195
3-chloro-N-[1-(oxolan-3-yl)ethyl]-4-propoxyaniline
CID 115917798
N-(4-propylphenyl)oxolan-3-amine
CID 63331785
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-4-butylaniline
CID 43769731
2-amino-2-(oxan-4-yl)-N-(4-pentylphenyl)acetamide
CID 120784146
N-[3-[1-(oxolan-3-yl)ethylamino]phenyl]propanamide
CID 115917600

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[1-(oxolan-3-yl)ethyl]aniline?
The IUPAC name of 4-butyl-N-[1-(oxolan-3-yl)ethyl]aniline (CID 115916962) is 4-butyl-N-[1-(oxolan-3-yl)ethyl]aniline.
What is the SMILES notation for 4-butyl-N-[1-(oxolan-3-yl)ethyl]aniline?
The canonical SMILES for 4-butyl-N-[1-(oxolan-3-yl)ethyl]aniline is CCCCc1ccc(NC(C)C2CCOC2)cc1.
What is the InChIKey of 4-butyl-N-[1-(oxolan-3-yl)ethyl]aniline?
The InChIKey is SDDNRTYXOFDTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-4-5-14-6-8-16(9-7-14)17-13(2)15-10-11-18-12-15/h6-9,13,15,17H,3-5,10-12H2,1-2H3.
What are the key properties of 4-butyl-N-[1-(oxolan-3-yl)ethyl]aniline?
4-butyl-N-[1-(oxolan-3-yl)ethyl]aniline has a molecular weight of 247.38 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[1-(oxolan-3-yl)ethyl]aniline is sourced from PubChem (CID 115916962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).