4-[1-[[1-(hydroxymethyl)cyclopropyl]methylamino]ethyl]phenol

C13H19NO2 — CID 115454338

IUPAC4-[1-[[1-(hydroxymethyl)cyclopropyl]methylamino]ethyl]phenol
SMILESCC(NCC1(CO)CC1)c1ccc(O)cc1
InChIInChI=1S/C13H19NO2/c1-10(11-2-4-12(16)5-3-11)14-8-13(9-15)6-7-13/h2-5,10,14-16H,6-9H2,1H3
InChIKeyIEGUJSJSXUOODL-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.82
Rot. Bonds5

About 4-[1-[[1-(hydroxymethyl)cyclopropyl]methylamino]ethyl]phenol

4-[1-[[1-(hydroxymethyl)cyclopropyl]methylamino]ethyl]phenol (PubChem CID 115454338) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-[1-[[1-(hydroxymethyl)cyclopropyl]methylamino]ethyl]phenol.

Molecular Properties

Compound Name4-[1-[[1-(hydroxymethyl)cyclopropyl]methylamino]ethyl]phenol
PubChem CID115454338
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name4-[1-[[1-(hydroxymethyl)cyclopropyl]methylamino]ethyl]phenol
SMILESCC(NCC1(CO)CC1)c1ccc(O)cc1
InChIInChI=1S/C13H19NO2/c1-10(11-2-4-12(16)5-3-11)14-8-13(9-15)6-7-13/h2-5,10,14-16H,6-9H2,1H3
InChIKeyIEGUJSJSXUOODL-UHFFFAOYSA-N
XLogP1.82
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[[1-(4-fluorophenyl)ethylamino]methyl]cyclopropyl]methanol
CID 81343132
[1-[[1-(4-iodophenyl)ethylamino]methyl]cyclopropyl]methanol
CID 81343754
[1-[[1-(6-chloro-3-pyridinyl)ethylamino]methyl]cyclopropyl]methanol
CID 115776769
[1-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]cyclohexyl]methanol
CID 81419096
[1-[[1-(4-propylphenyl)ethylamino]methyl]cyclohexyl]methanol
CID 103965966
3-[1-[[1-(hydroxymethyl)cyclohexyl]methylamino]ethyl]phenol
CID 81412551
[1-[[1-[4-(difluoromethoxy)phenyl]ethylamino]methyl]cyclopentyl]methanol
CID 115358503
[1-[[1-(3,5-dimethylphenyl)ethylamino]methyl]cyclohexyl]methanol
CID 103965989
[1-[[1-(3-chloro-4-fluorophenyl)ethylamino]methyl]cyclopentyl]methanol
CID 115358450
N-[(1-ethylcyclopropyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 103734794
[4-[1-[(1-ethylcyclopropyl)methylamino]ethyl]phenyl]urea
CID 103903124
[1-[[1-(2-methylpyrazol-3-yl)ethylamino]methyl]cyclopropyl]methanol
CID 106757997

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[1-(hydroxymethyl)cyclopropyl]methylamino]ethyl]phenol?
The IUPAC name of 4-[1-[[1-(hydroxymethyl)cyclopropyl]methylamino]ethyl]phenol (CID 115454338) is 4-[1-[[1-(hydroxymethyl)cyclopropyl]methylamino]ethyl]phenol.
What is the SMILES notation for 4-[1-[[1-(hydroxymethyl)cyclopropyl]methylamino]ethyl]phenol?
The canonical SMILES for 4-[1-[[1-(hydroxymethyl)cyclopropyl]methylamino]ethyl]phenol is CC(NCC1(CO)CC1)c1ccc(O)cc1.
What is the InChIKey of 4-[1-[[1-(hydroxymethyl)cyclopropyl]methylamino]ethyl]phenol?
The InChIKey is IEGUJSJSXUOODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10(11-2-4-12(16)5-3-11)14-8-13(9-15)6-7-13/h2-5,10,14-16H,6-9H2,1H3.
What are the key properties of 4-[1-[[1-(hydroxymethyl)cyclopropyl]methylamino]ethyl]phenol?
4-[1-[[1-(hydroxymethyl)cyclopropyl]methylamino]ethyl]phenol has a molecular weight of 221.30 g/mol, XLogP of 1.82, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[1-(hydroxymethyl)cyclopropyl]methylamino]ethyl]phenol is sourced from PubChem (CID 115454338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).