2-[1-(1-aminoethyl)cyclopropyl]-5-methoxyphenol

C12H17NO2 — CID 117296056

IUPAC2-[1-(1-aminoethyl)cyclopropyl]-5-methoxyphenol
SMILESCOc1ccc(C2(C(C)N)CC2)c(O)c1
InChIInChI=1S/C12H17NO2/c1-8(13)12(5-6-12)10-4-3-9(15-2)7-11(10)14/h3-4,7-8,14H,5-6,13H2,1-2H3
InChIKeyHXQFTZUDJVCXAQ-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.78
Rot. Bonds3

About 2-[1-(1-aminoethyl)cyclopropyl]-5-methoxyphenol

2-[1-(1-aminoethyl)cyclopropyl]-5-methoxyphenol (PubChem CID 117296056) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-[1-(1-aminoethyl)cyclopropyl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[1-(1-aminoethyl)cyclopropyl]-5-methoxyphenol
PubChem CID117296056
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-[1-(1-aminoethyl)cyclopropyl]-5-methoxyphenol
SMILESCOc1ccc(C2(C(C)N)CC2)c(O)c1
InChIInChI=1S/C12H17NO2/c1-8(13)12(5-6-12)10-4-3-9(15-2)7-11(10)14/h3-4,7-8,14H,5-6,13H2,1-2H3
InChIKeyHXQFTZUDJVCXAQ-UHFFFAOYSA-N
XLogP1.78
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(1-aminoethyl)cyclopropyl]-4-methoxy-N,N-dimethylaniline
CID 117341054
1-[3-(2-chloro-4-methoxyphenyl)oxetan-3-yl]ethanamine
CID 116869379
5-[1-(1-aminoethyl)cyclopropyl]-2-methoxy-3,4-dimethylphenol
CID 117343267
6-[1-(1-aminoethyl)cyclopropyl]-3-chloro-2-methoxyphenol
CID 117356185
1-[1-(2-ethyl-3,5-dimethoxyphenyl)cyclopropyl]ethanamine
CID 117377087
1-[3-(6-methoxynaphthalen-2-yl)oxetan-3-yl]ethanamine
CID 116869429
6-[1-(1-aminoethyl)cyclopropyl]-2-methoxy-3,4-dimethylphenol
CID 117343281
2-[(1S,2S)-1-amino-2-hydroxypropyl]-4-methoxyphenol
CID 130691846
6-[1-(1-aminoethyl)cyclopropyl]-4-chloro-2-methoxy-3-methylphenol
CID 117392662
1-[1-(3-bromo-2-methoxy-4-methylphenyl)cyclopropyl]ethanamine
CID 117457314
2-[(1S,2R)-1-amino-2-hydroxypropyl]-4-methoxyphenol;hydrochloride
CID 171267529
2-[(1S)-1-amino-2,2,2-trifluoroethyl]-5-methoxyphenol
CID 66511004

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-aminoethyl)cyclopropyl]-5-methoxyphenol?
The IUPAC name of 2-[1-(1-aminoethyl)cyclopropyl]-5-methoxyphenol (CID 117296056) is 2-[1-(1-aminoethyl)cyclopropyl]-5-methoxyphenol.
What is the SMILES notation for 2-[1-(1-aminoethyl)cyclopropyl]-5-methoxyphenol?
The canonical SMILES for 2-[1-(1-aminoethyl)cyclopropyl]-5-methoxyphenol is COc1ccc(C2(C(C)N)CC2)c(O)c1.
What is the InChIKey of 2-[1-(1-aminoethyl)cyclopropyl]-5-methoxyphenol?
The InChIKey is HXQFTZUDJVCXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-8(13)12(5-6-12)10-4-3-9(15-2)7-11(10)14/h3-4,7-8,14H,5-6,13H2,1-2H3.
What are the key properties of 2-[1-(1-aminoethyl)cyclopropyl]-5-methoxyphenol?
2-[1-(1-aminoethyl)cyclopropyl]-5-methoxyphenol has a molecular weight of 207.27 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-aminoethyl)cyclopropyl]-5-methoxyphenol is sourced from PubChem (CID 117296056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).