N-[3-(oxolan-2-yl)propyl]-4-propylaniline

C16H25NO — CID 65163877

IUPACN-[3-(oxolan-2-yl)propyl]-4-propylaniline
SMILESCCCc1ccc(NCCCC2CCCO2)cc1
InChIInChI=1S/C16H25NO/c1-2-5-14-8-10-15(11-9-14)17-12-3-6-16-7-4-13-18-16/h8-11,16-17H,2-7,12-13H2,1H3
InChIKeyKNMWFINKMUWXQX-UHFFFAOYSA-N
MW247.38 g/mol
LogP4.01
Rot. Bonds7

About N-[3-(oxolan-2-yl)propyl]-4-propylaniline

N-[3-(oxolan-2-yl)propyl]-4-propylaniline (PubChem CID 65163877) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[3-(oxolan-2-yl)propyl]-4-propylaniline.

Molecular Properties

Compound NameN-[3-(oxolan-2-yl)propyl]-4-propylaniline
PubChem CID65163877
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[3-(oxolan-2-yl)propyl]-4-propylaniline
SMILESCCCc1ccc(NCCCC2CCCO2)cc1
InChIInChI=1S/C16H25NO/c1-2-5-14-8-10-15(11-9-14)17-12-3-6-16-7-4-13-18-16/h8-11,16-17H,2-7,12-13H2,1H3
InChIKeyKNMWFINKMUWXQX-UHFFFAOYSA-N
XLogP4.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-butyl-N-(oxan-2-ylmethyl)aniline
CID 43403485
3,5-difluoro-N-[3-(oxolan-2-yl)propyl]aniline
CID 65163282
3-(oxolan-2-yl)-N-propyl-1-(4-propylphenyl)propan-1-amine
CID 65156384
[3-(oxolan-2-yl)-1-(4-propylphenyl)propyl]hydrazine
CID 105303812
N-[2-(oxolan-2-yl)ethyl]-4-propan-2-ylaniline
CID 63182100
N-[2-(oxolan-2-yl)ethyl]-4-(propylamino)benzenesulfonamide
CID 62159061
2,3-dimethyl-N-[3-(oxolan-2-yl)propyl]aniline
CID 65163393
3-(oxan-2-yl)-1-(4-propylphenyl)propan-1-one
CID 63952320
4-bromo-2-ethyl-N-[3-(oxolan-2-yl)propyl]aniline
CID 81292324
4-fluoro-3-methyl-N-[2-(oxolan-2-yl)ethyl]aniline
CID 63181207
3-bromo-5-methoxy-N-[3-(oxolan-2-yl)propyl]aniline
CID 82867375
N-ethyl-1-(4-fluorophenyl)-5-(oxolan-2-yl)pentan-2-amine
CID 65167136

Frequently Asked Questions

What is the IUPAC name of N-[3-(oxolan-2-yl)propyl]-4-propylaniline?
The IUPAC name of N-[3-(oxolan-2-yl)propyl]-4-propylaniline (CID 65163877) is N-[3-(oxolan-2-yl)propyl]-4-propylaniline.
What is the SMILES notation for N-[3-(oxolan-2-yl)propyl]-4-propylaniline?
The canonical SMILES for N-[3-(oxolan-2-yl)propyl]-4-propylaniline is CCCc1ccc(NCCCC2CCCO2)cc1.
What is the InChIKey of N-[3-(oxolan-2-yl)propyl]-4-propylaniline?
The InChIKey is KNMWFINKMUWXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-2-5-14-8-10-15(11-9-14)17-12-3-6-16-7-4-13-18-16/h8-11,16-17H,2-7,12-13H2,1H3.
What are the key properties of N-[3-(oxolan-2-yl)propyl]-4-propylaniline?
N-[3-(oxolan-2-yl)propyl]-4-propylaniline has a molecular weight of 247.38 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(oxolan-2-yl)propyl]-4-propylaniline is sourced from PubChem (CID 65163877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).