6-(4-propylanilino)hexan-1-ol

C15H25NO — CID 103868001

IUPAC6-(4-propylanilino)hexan-1-ol
SMILESCCCc1ccc(NCCCCCCO)cc1
InChIInChI=1S/C15H25NO/c1-2-7-14-8-10-15(11-9-14)16-12-5-3-4-6-13-17/h8-11,16-17H,2-7,12-13H2,1H3
InChIKeyDBWHXEZKFMHNLR-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.60
Rot. Bonds9

About 6-(4-propylanilino)hexan-1-ol

6-(4-propylanilino)hexan-1-ol (PubChem CID 103868001) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 6-(4-propylanilino)hexan-1-ol.

Molecular Properties

Compound Name6-(4-propylanilino)hexan-1-ol
PubChem CID103868001
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name6-(4-propylanilino)hexan-1-ol
SMILESCCCc1ccc(NCCCCCCO)cc1
InChIInChI=1S/C15H25NO/c1-2-7-14-8-10-15(11-9-14)16-12-5-3-4-6-13-17/h8-11,16-17H,2-7,12-13H2,1H3
InChIKeyDBWHXEZKFMHNLR-UHFFFAOYSA-N
XLogP3.60
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(4-butylanilino)pentan-1-ol
CID 62228069
5-[4-(2-hydroxyethyl)anilino]pentan-1-ol
CID 83962274
2-[4-(pentadecylamino)phenyl]ethanol
CID 20525862
5-[4-(methoxymethyl)anilino]pentan-1-ol
CID 83961071
4-(4-propylphenyl)butan-1-ol
CID 10511962
N-[3-(4-propylphenyl)propyl]aniline
CID 90752574
3-[(4-propylphenyl)methylamino]propan-1-ol
CID 94681283
4-(4-propylanilino)butanenitrile
CID 43216271
2-(4-propylanilino)ethanethiol
CID 115223632
5-(4-bromoanilino)pentan-1-ol
CID 62227139
4-(2-chloroethyl)-N-pentylaniline
CID 65023933
10-anilinodecan-1-ol
CID 10955954

Frequently Asked Questions

What is the IUPAC name of 6-(4-propylanilino)hexan-1-ol?
The IUPAC name of 6-(4-propylanilino)hexan-1-ol (CID 103868001) is 6-(4-propylanilino)hexan-1-ol.
What is the SMILES notation for 6-(4-propylanilino)hexan-1-ol?
The canonical SMILES for 6-(4-propylanilino)hexan-1-ol is CCCc1ccc(NCCCCCCO)cc1.
What is the InChIKey of 6-(4-propylanilino)hexan-1-ol?
The InChIKey is DBWHXEZKFMHNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-2-7-14-8-10-15(11-9-14)16-12-5-3-4-6-13-17/h8-11,16-17H,2-7,12-13H2,1H3.
What are the key properties of 6-(4-propylanilino)hexan-1-ol?
6-(4-propylanilino)hexan-1-ol has a molecular weight of 235.37 g/mol, XLogP of 3.60, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-propylanilino)hexan-1-ol is sourced from PubChem (CID 103868001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).