4-[2-[1-(aminomethyl)cyclopropyl]ethoxy]phenol

C12H17NO2 — CID 84779704

IUPAC4-[2-[1-(aminomethyl)cyclopropyl]ethoxy]phenol
SMILESNCC1(CCOc2ccc(O)cc2)CC1
InChIInChI=1S/C12H17NO2/c13-9-12(5-6-12)7-8-15-11-3-1-10(14)2-4-11/h1-4,14H,5-9,13H2
InChIKeyCVEMNJCFLXIVLO-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.90
Rot. Bonds5

About 4-[2-[1-(aminomethyl)cyclopropyl]ethoxy]phenol

4-[2-[1-(aminomethyl)cyclopropyl]ethoxy]phenol (PubChem CID 84779704) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 4-[2-[1-(aminomethyl)cyclopropyl]ethoxy]phenol.

Molecular Properties

Compound Name4-[2-[1-(aminomethyl)cyclopropyl]ethoxy]phenol
PubChem CID84779704
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name4-[2-[1-(aminomethyl)cyclopropyl]ethoxy]phenol
SMILESNCC1(CCOc2ccc(O)cc2)CC1
InChIInChI=1S/C12H17NO2/c13-9-12(5-6-12)7-8-15-11-3-1-10(14)2-4-11/h1-4,14H,5-9,13H2
InChIKeyCVEMNJCFLXIVLO-UHFFFAOYSA-N
XLogP1.90
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[1-(aminomethyl)cyclopropyl]methoxy]phenol
CID 84664886
[1-[2-(4-bromophenoxy)ethyl]cyclopentyl]methanamine
CID 55107164
[1-(3-phenoxypropyl)cyclopropyl]methanamine
CID 66026187
4-[5-(4-hydroxyphenoxy)pentoxy]phenol
CID 20548963
[1-[2-(4-bromophenoxy)ethyl]-4-propan-2-ylcyclohexyl]methanamine
CID 65423148
[1-[2-(4-bromophenoxy)ethyl]-4-ethylcyclohexyl]methanamine
CID 65393492
4-octadecoxyphenol
CID 22179059
[1-[2-(2-methoxyphenoxy)ethyl]cyclopropyl]methanamine
CID 66026414
[1-(phenoxymethyl)cyclopropyl]methanamine;hydrochloride
CID 170900192
4-(aminooxymethoxy)phenol
CID 121274828
4-[4-[4-[4-[4-[4-(4-hydroxyphenyl)cyclopenta-1,3-dien-1-yl]phenoxy]butoxy]phenyl]cyclopenta-1,3-dien-1-yl]phenol
CID 163680281
ethane;4-(3-methoxypropoxy)phenol
CID 143283309

Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-(aminomethyl)cyclopropyl]ethoxy]phenol?
The IUPAC name of 4-[2-[1-(aminomethyl)cyclopropyl]ethoxy]phenol (CID 84779704) is 4-[2-[1-(aminomethyl)cyclopropyl]ethoxy]phenol.
What is the SMILES notation for 4-[2-[1-(aminomethyl)cyclopropyl]ethoxy]phenol?
The canonical SMILES for 4-[2-[1-(aminomethyl)cyclopropyl]ethoxy]phenol is NCC1(CCOc2ccc(O)cc2)CC1.
What is the InChIKey of 4-[2-[1-(aminomethyl)cyclopropyl]ethoxy]phenol?
The InChIKey is CVEMNJCFLXIVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c13-9-12(5-6-12)7-8-15-11-3-1-10(14)2-4-11/h1-4,14H,5-9,13H2.
What are the key properties of 4-[2-[1-(aminomethyl)cyclopropyl]ethoxy]phenol?
4-[2-[1-(aminomethyl)cyclopropyl]ethoxy]phenol has a molecular weight of 207.27 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-(aminomethyl)cyclopropyl]ethoxy]phenol is sourced from PubChem (CID 84779704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).