2-[benzyl(butyl)amino]phenol

C17H21NO — CID 52933283

IUPAC2-[benzyl(butyl)amino]phenol
SMILESCCCCN(Cc1ccccc1)c1ccccc1O
InChIInChI=1S/C17H21NO/c1-2-3-13-18(14-15-9-5-4-6-10-15)16-11-7-8-12-17(16)19/h4-12,19H,2-3,13-14H2,1H3
InChIKeyHOXHAFUKVBUUDI-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.20
Rot. Bonds6

About 2-[benzyl(butyl)amino]phenol

2-[benzyl(butyl)amino]phenol (PubChem CID 52933283) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[benzyl(butyl)amino]phenol.

Molecular Properties

Compound Name2-[benzyl(butyl)amino]phenol
PubChem CID52933283
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name2-[benzyl(butyl)amino]phenol
SMILESCCCCN(Cc1ccccc1)c1ccccc1O
InChIInChI=1S/C17H21NO/c1-2-3-13-18(14-15-9-5-4-6-10-15)16-11-7-8-12-17(16)19/h4-12,19H,2-3,13-14H2,1H3
InChIKeyHOXHAFUKVBUUDI-UHFFFAOYSA-N
XLogP4.20
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(butyl)amino]phenol?
The IUPAC name of 2-[benzyl(butyl)amino]phenol (CID 52933283) is 2-[benzyl(butyl)amino]phenol.
What is the SMILES notation for 2-[benzyl(butyl)amino]phenol?
The canonical SMILES for 2-[benzyl(butyl)amino]phenol is CCCCN(Cc1ccccc1)c1ccccc1O.
What is the InChIKey of 2-[benzyl(butyl)amino]phenol?
The InChIKey is HOXHAFUKVBUUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-2-3-13-18(14-15-9-5-4-6-10-15)16-11-7-8-12-17(16)19/h4-12,19H,2-3,13-14H2,1H3.
What are the key properties of 2-[benzyl(butyl)amino]phenol?
2-[benzyl(butyl)amino]phenol has a molecular weight of 255.36 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(butyl)amino]phenol is sourced from PubChem (CID 52933283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).