3-[1-(cyclobutylmethylamino)ethyl]phenol

C13H19NO — CID 43298395

IUPAC3-[1-(cyclobutylmethylamino)ethyl]phenol
SMILESCC(NCC1CCC1)c1cccc(O)c1
InChIInChI=1S/C13H19NO/c1-10(14-9-11-4-2-5-11)12-6-3-7-13(15)8-12/h3,6-8,10-11,14-15H,2,4-5,9H2,1H3
InChIKeyKRRZUDNRPXIWPE-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.84
Rot. Bonds4

About 3-[1-(cyclobutylmethylamino)ethyl]phenol

3-[1-(cyclobutylmethylamino)ethyl]phenol (PubChem CID 43298395) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-[1-(cyclobutylmethylamino)ethyl]phenol.

Molecular Properties

Compound Name3-[1-(cyclobutylmethylamino)ethyl]phenol
PubChem CID43298395
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3-[1-(cyclobutylmethylamino)ethyl]phenol
SMILESCC(NCC1CCC1)c1cccc(O)c1
InChIInChI=1S/C13H19NO/c1-10(14-9-11-4-2-5-11)12-6-3-7-13(15)8-12/h3,6-8,10-11,14-15H,2,4-5,9H2,1H3
InChIKeyKRRZUDNRPXIWPE-UHFFFAOYSA-N
XLogP2.84
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(+-)-Pholedrine
CID 4655
3-Hydroxy-alpha-(((1-methylethyl)amino)methyl)benzenemethanol
CID 19136
Nap-226-90
CID 445892
3-(2-Aminopropyl)phenol
CID 102551
2-(2-(Methylamino)propyl)phenol
CID 11405
1-(3-Hydroxybenzyl)piperidine
CID 826974
2-{[(1-Phenylethyl)amino]methyl}phenol
CID 3669487
2-[(Butylamino)methyl]phenol
CID 487839
Gepefrine
CID 219105
4-[(2S)-2-(methylamino)propyl]phenol
CID 158815
3-(1-Dimethylaminoethyl)phenol
CID 409441
2-({[(2S)-1-cyclohexylpropan-2-yl]amino}methyl)phenol
CID 16037872

Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclobutylmethylamino)ethyl]phenol?
The IUPAC name of 3-[1-(cyclobutylmethylamino)ethyl]phenol (CID 43298395) is 3-[1-(cyclobutylmethylamino)ethyl]phenol.
What is the SMILES notation for 3-[1-(cyclobutylmethylamino)ethyl]phenol?
The canonical SMILES for 3-[1-(cyclobutylmethylamino)ethyl]phenol is CC(NCC1CCC1)c1cccc(O)c1.
What is the InChIKey of 3-[1-(cyclobutylmethylamino)ethyl]phenol?
The InChIKey is KRRZUDNRPXIWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-10(14-9-11-4-2-5-11)12-6-3-7-13(15)8-12/h3,6-8,10-11,14-15H,2,4-5,9H2,1H3.
What are the key properties of 3-[1-(cyclobutylmethylamino)ethyl]phenol?
3-[1-(cyclobutylmethylamino)ethyl]phenol has a molecular weight of 205.30 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclobutylmethylamino)ethyl]phenol is sourced from PubChem (CID 43298395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).