4-[3-[azetidin-3-yl(ethyl)amino]butyl]phenol

C15H24N2O — CID 66183584

IUPAC4-[3-[azetidin-3-yl(ethyl)amino]butyl]phenol
SMILESCCN(C(C)CCc1ccc(O)cc1)C1CNC1
InChIInChI=1S/C15H24N2O/c1-3-17(14-10-16-11-14)12(2)4-5-13-6-8-15(18)9-7-13/h6-9,12,14,16,18H,3-5,10-11H2,1-2H3
InChIKeyCMMNHICSVDANTN-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.01
Rot. Bonds6

About 4-[3-[azetidin-3-yl(ethyl)amino]butyl]phenol

4-[3-[azetidin-3-yl(ethyl)amino]butyl]phenol (PubChem CID 66183584) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-[3-[azetidin-3-yl(ethyl)amino]butyl]phenol.

Molecular Properties

Compound Name4-[3-[azetidin-3-yl(ethyl)amino]butyl]phenol
PubChem CID66183584
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name4-[3-[azetidin-3-yl(ethyl)amino]butyl]phenol
SMILESCCN(C(C)CCc1ccc(O)cc1)C1CNC1
InChIInChI=1S/C15H24N2O/c1-3-17(14-10-16-11-14)12(2)4-5-13-6-8-15(18)9-7-13/h6-9,12,14,16,18H,3-5,10-11H2,1-2H3
InChIKeyCMMNHICSVDANTN-UHFFFAOYSA-N
XLogP2.01
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(4-phenylbutan-2-yl)pyrrolidin-3-amine
CID 63301804
4-[2-[azetidin-3-yl(methyl)amino]propyl]phenol
CID 115496116
N-ethyl-N-propan-2-ylazetidin-3-amine
CID 21024113
N-propyl-N-[1-(4-propylphenyl)ethyl]azetidin-3-amine
CID 66183935
N-(azetidin-3-yl)-N-ethyl-2-(4-hydroxyphenyl)acetamide
CID 66181882
N-ethyl-N-(1-pyridin-4-ylethyl)azetidin-3-amine
CID 66181652
4-[3-(N-ethylanilino)butyl]phenol
CID 82974928
4-(3-methylpentyl)phenol
CID 57225129
N-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]-N-methylazetidin-3-amine
CID 66185897
N-[4-(4-methoxyphenyl)butan-2-yl]-N-propylpyrrolidin-3-amine
CID 63300831
4-(3,5-dimethyloctyl)phenol
CID 174906830
4-[3-[2-[cyclopropyl(ethyl)amino]ethylamino]butyl]phenol
CID 104861928

Frequently Asked Questions

What is the IUPAC name of 4-[3-[azetidin-3-yl(ethyl)amino]butyl]phenol?
The IUPAC name of 4-[3-[azetidin-3-yl(ethyl)amino]butyl]phenol (CID 66183584) is 4-[3-[azetidin-3-yl(ethyl)amino]butyl]phenol.
What is the SMILES notation for 4-[3-[azetidin-3-yl(ethyl)amino]butyl]phenol?
The canonical SMILES for 4-[3-[azetidin-3-yl(ethyl)amino]butyl]phenol is CCN(C(C)CCc1ccc(O)cc1)C1CNC1.
What is the InChIKey of 4-[3-[azetidin-3-yl(ethyl)amino]butyl]phenol?
The InChIKey is CMMNHICSVDANTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-17(14-10-16-11-14)12(2)4-5-13-6-8-15(18)9-7-13/h6-9,12,14,16,18H,3-5,10-11H2,1-2H3.
What are the key properties of 4-[3-[azetidin-3-yl(ethyl)amino]butyl]phenol?
4-[3-[azetidin-3-yl(ethyl)amino]butyl]phenol has a molecular weight of 248.37 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[azetidin-3-yl(ethyl)amino]butyl]phenol is sourced from PubChem (CID 66183584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).