1-[2-(1-hydroxybutylamino)phenyl]butan-1-ol

C14H23NO2 — CID 141441967

IUPAC1-[2-(1-hydroxybutylamino)phenyl]butan-1-ol
SMILESCCCC(O)Nc1ccccc1C(O)CCC
InChIInChI=1S/C14H23NO2/c1-3-7-13(16)11-9-5-6-10-12(11)15-14(17)8-4-2/h5-6,9-10,13-17H,3-4,7-8H2,1-2H3
InChIKeyUUWCPKWIXPHULK-UHFFFAOYSA-N
MW237.34 g/mol
LogP3.05
Rot. Bonds7

About 1-[2-(1-hydroxybutylamino)phenyl]butan-1-ol

1-[2-(1-hydroxybutylamino)phenyl]butan-1-ol (PubChem CID 141441967) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-[2-(1-hydroxybutylamino)phenyl]butan-1-ol.

Molecular Properties

Compound Name1-[2-(1-hydroxybutylamino)phenyl]butan-1-ol
PubChem CID141441967
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-[2-(1-hydroxybutylamino)phenyl]butan-1-ol
SMILESCCCC(O)Nc1ccccc1C(O)CCC
InChIInChI=1S/C14H23NO2/c1-3-7-13(16)11-9-5-6-10-12(11)15-14(17)8-4-2/h5-6,9-10,13-17H,3-4,7-8H2,1-2H3
InChIKeyUUWCPKWIXPHULK-UHFFFAOYSA-N
XLogP3.05
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1-hydroxybutyl)phenyl]acetamide
CID 19836950
1-[3-(2-aminohydrazinyl)-2-iodophenyl]butan-1-ol
CID 175328435
1-(2-benzylphenyl)butan-1-ol
CID 101274232
1-(2-amino-3-methoxyphenyl)butan-1-ol
CID 105449196
CID 89047034
CID 89047034
1-(2-bromo-3-fluorophenyl)butan-1-ol
CID 58572720
1-[2-(1-hydroxyethylamino)phenyl]ethanol
CID 141441966
1-(2-methylfuran-3-yl)butan-1-ol
CID 104789531
1-[2-[[(1R)-1-cyclopropylethyl]amino]phenyl]ethane-1,2-diol
CID 173469571
1-(3-chloroanilino)butan-1-ol
CID 143119742
1-[2-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]phenyl]butan-1-ol
CID 143320878
1-(2-chlorophenyl)hexan-1-ol
CID 62606389

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-hydroxybutylamino)phenyl]butan-1-ol?
The IUPAC name of 1-[2-(1-hydroxybutylamino)phenyl]butan-1-ol (CID 141441967) is 1-[2-(1-hydroxybutylamino)phenyl]butan-1-ol.
What is the SMILES notation for 1-[2-(1-hydroxybutylamino)phenyl]butan-1-ol?
The canonical SMILES for 1-[2-(1-hydroxybutylamino)phenyl]butan-1-ol is CCCC(O)Nc1ccccc1C(O)CCC.
What is the InChIKey of 1-[2-(1-hydroxybutylamino)phenyl]butan-1-ol?
The InChIKey is UUWCPKWIXPHULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-3-7-13(16)11-9-5-6-10-12(11)15-14(17)8-4-2/h5-6,9-10,13-17H,3-4,7-8H2,1-2H3.
What are the key properties of 1-[2-(1-hydroxybutylamino)phenyl]butan-1-ol?
1-[2-(1-hydroxybutylamino)phenyl]butan-1-ol has a molecular weight of 237.34 g/mol, XLogP of 3.05, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-hydroxybutylamino)phenyl]butan-1-ol is sourced from PubChem (CID 141441967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).