2-(4-hydroxybutylamino)-1-phenylethanone

C12H17NO2 — CID 15748500

IUPAC2-(4-hydroxybutylamino)-1-phenylethanone
SMILESO=C(CNCCCCO)c1ccccc1
InChIInChI=1S/C12H17NO2/c14-9-5-4-8-13-10-12(15)11-6-2-1-3-7-11/h1-3,6-7,13-14H,4-5,8-10H2
InChIKeyOPTOUOMPPRNXHO-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.23
Rot. Bonds7

About 2-(4-hydroxybutylamino)-1-phenylethanone

2-(4-hydroxybutylamino)-1-phenylethanone (PubChem CID 15748500) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-(4-hydroxybutylamino)-1-phenylethanone.

Molecular Properties

Compound Name2-(4-hydroxybutylamino)-1-phenylethanone
PubChem CID15748500
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-(4-hydroxybutylamino)-1-phenylethanone
SMILESO=C(CNCCCCO)c1ccccc1
InChIInChI=1S/C12H17NO2/c14-9-5-4-8-13-10-12(15)11-6-2-1-3-7-11/h1-3,6-7,13-14H,4-5,8-10H2
InChIKeyOPTOUOMPPRNXHO-UHFFFAOYSA-N
XLogP1.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(hexylamino)-1-phenylethanone
CID 82101185
2-[2-(2-hydroxyethoxy)ethylamino]-1-phenylethanone
CID 118894768
2-[4-(diethylamino)butylamino]-1-phenylethanone
CID 82101197
1-(4-chlorophenyl)-2-(3-hydroxypropylamino)ethanone
CID 82101433
6-(2-phenylprop-2-enylamino)hexan-1-ol
CID 107851678
(2R)-2-methyl-5-(phenacylamino)pentanoic acid
CID 118133420
1-phenyl-2-[2-(propylamino)ethylamino]ethanone
CID 69282743
12-hydroxy-1-phenyldodecan-1-one
CID 11482778
2-(aminomethylamino)-1-phenylethanone
CID 59627873
N-(6-hydroxyhexyl)-5-oxo-5-phenylpentanamide
CID 108807536
2-(4-hydroxybutylamino)acetic acid
CID 22121765
2-(ethylamino)-1-phenylethanone;methanol
CID 143922516

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxybutylamino)-1-phenylethanone?
The IUPAC name of 2-(4-hydroxybutylamino)-1-phenylethanone (CID 15748500) is 2-(4-hydroxybutylamino)-1-phenylethanone.
What is the SMILES notation for 2-(4-hydroxybutylamino)-1-phenylethanone?
The canonical SMILES for 2-(4-hydroxybutylamino)-1-phenylethanone is O=C(CNCCCCO)c1ccccc1.
What is the InChIKey of 2-(4-hydroxybutylamino)-1-phenylethanone?
The InChIKey is OPTOUOMPPRNXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c14-9-5-4-8-13-10-12(15)11-6-2-1-3-7-11/h1-3,6-7,13-14H,4-5,8-10H2.
What are the key properties of 2-(4-hydroxybutylamino)-1-phenylethanone?
2-(4-hydroxybutylamino)-1-phenylethanone has a molecular weight of 207.27 g/mol, XLogP of 1.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxybutylamino)-1-phenylethanone is sourced from PubChem (CID 15748500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).