1-[4-[butyl(methyl)amino]phenyl]ethanol

C13H21NO — CID 43505960

IUPAC1-[4-[butyl(methyl)amino]phenyl]ethanol
SMILESCCCCN(C)c1ccc(C(C)O)cc1
InChIInChI=1S/C13H21NO/c1-4-5-10-14(3)13-8-6-12(7-9-13)11(2)15/h6-9,11,15H,4-5,10H2,1-3H3
InChIKeyZVLGVTKZJZFOOK-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.98
Rot. Bonds5

About 1-[4-[butyl(methyl)amino]phenyl]ethanol

1-[4-[butyl(methyl)amino]phenyl]ethanol (PubChem CID 43505960) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-[4-[butyl(methyl)amino]phenyl]ethanol.

Molecular Properties

Compound Name1-[4-[butyl(methyl)amino]phenyl]ethanol
PubChem CID43505960
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-[4-[butyl(methyl)amino]phenyl]ethanol
SMILESCCCCN(C)c1ccc(C(C)O)cc1
InChIInChI=1S/C13H21NO/c1-4-5-10-14(3)13-8-6-12(7-9-13)11(2)15/h6-9,11,15H,4-5,10H2,1-3H3
InChIKeyZVLGVTKZJZFOOK-UHFFFAOYSA-N
XLogP2.98
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-N,4-N-dibutyl-1-N,4-N-dimethylbenzene-1,4-diamine
CID 18699513
(1R)-1-[4-[methyl(pent-4-enyl)amino]phenyl]ethanol
CID 104869719
1-[4-[2-ethoxyethyl(methyl)amino]phenyl]ethanol
CID 81057167
(1R)-1-[4-[butyl(2-hydroxyethyl)amino]phenyl]ethanol
CID 55184841
N-butyl-4-fluoro-N-methylaniline
CID 70573878
N-butyl-N,4-dimethylaniline;ethane
CID 176937760
3-(4-butan-2-yl-N-methylanilino)propan-1-ol
CID 115216712
N-butyl-N-methyl-4-[(2-methylpropylamino)methyl]aniline
CID 63060702
N-methyl-N-pentyl-4-[1-(propylamino)ethyl]aniline
CID 43295026
N-butyl-4-(1-hydroxyethyl)-N-methylbenzenesulfonamide
CID 43507359
N,4-dibutyl-N-methylaniline
CID 118183375
(1S)-1-[3-fluoro-4-[methyl(pentyl)amino]phenyl]ethanol
CID 78939586

Frequently Asked Questions

What is the IUPAC name of 1-[4-[butyl(methyl)amino]phenyl]ethanol?
The IUPAC name of 1-[4-[butyl(methyl)amino]phenyl]ethanol (CID 43505960) is 1-[4-[butyl(methyl)amino]phenyl]ethanol.
What is the SMILES notation for 1-[4-[butyl(methyl)amino]phenyl]ethanol?
The canonical SMILES for 1-[4-[butyl(methyl)amino]phenyl]ethanol is CCCCN(C)c1ccc(C(C)O)cc1.
What is the InChIKey of 1-[4-[butyl(methyl)amino]phenyl]ethanol?
The InChIKey is ZVLGVTKZJZFOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-5-10-14(3)13-8-6-12(7-9-13)11(2)15/h6-9,11,15H,4-5,10H2,1-3H3.
What are the key properties of 1-[4-[butyl(methyl)amino]phenyl]ethanol?
1-[4-[butyl(methyl)amino]phenyl]ethanol has a molecular weight of 207.32 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[butyl(methyl)amino]phenyl]ethanol is sourced from PubChem (CID 43505960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).