6-[1-(1-aminoethyl)cyclopropyl]-3-chloro-2-methoxyphenol

C12H16ClNO2 — CID 117356185

IUPAC6-[1-(1-aminoethyl)cyclopropyl]-3-chloro-2-methoxyphenol
SMILESCOc1c(Cl)ccc(C2(C(C)N)CC2)c1O
InChIInChI=1S/C12H16ClNO2/c1-7(14)12(5-6-12)8-3-4-9(13)11(16-2)10(8)15/h3-4,7,15H,5-6,14H2,1-2H3
InChIKeyWQEWYUYVSPRNIP-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.43
Rot. Bonds3

About 6-[1-(1-aminoethyl)cyclopropyl]-3-chloro-2-methoxyphenol

6-[1-(1-aminoethyl)cyclopropyl]-3-chloro-2-methoxyphenol (PubChem CID 117356185) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 6-[1-(1-aminoethyl)cyclopropyl]-3-chloro-2-methoxyphenol.

Molecular Properties

Compound Name6-[1-(1-aminoethyl)cyclopropyl]-3-chloro-2-methoxyphenol
PubChem CID117356185
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name6-[1-(1-aminoethyl)cyclopropyl]-3-chloro-2-methoxyphenol
SMILESCOc1c(Cl)ccc(C2(C(C)N)CC2)c1O
InChIInChI=1S/C12H16ClNO2/c1-7(14)12(5-6-12)8-3-4-9(13)11(16-2)10(8)15/h3-4,7,15H,5-6,14H2,1-2H3
InChIKeyWQEWYUYVSPRNIP-UHFFFAOYSA-N
XLogP2.43
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[1-(1-aminoethyl)cyclopropyl]-4-chloro-2-methoxy-3-methylphenol
CID 117392662
6-[1-(1-aminoethyl)cyclopropyl]-2-methoxy-3,4-dimethylphenol
CID 117343281
1-[1-(5-chloro-2,3-difluoro-4-methoxyphenyl)cyclopropyl]ethanamine
CID 117409102
1-(4-chloro-2-hydroxy-3-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117394988
2-[1-(1-aminoethyl)cyclopropyl]-5-methoxyphenol
CID 117296056
1-[1-(3-bromo-2-methoxy-4-methylphenyl)cyclopropyl]ethanamine
CID 117457314
5-[1-(1-aminoethyl)cyclopropyl]-2-methoxy-3,4-dimethylphenol
CID 117343267
2-[1-(1-aminoethyl)cyclopropyl]-6-chloro-3-fluorophenol
CID 117331543
3-[1-(1-aminoethyl)cyclopropyl]-4-chloro-5-fluoro-2-methoxyphenol
CID 117403514
1-[1-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropyl]ethanamine
CID 117366115
2-[1-(1-aminoethyl)cyclopropyl]-6-chloro-4-fluorophenol
CID 117331542
3-[1-(aminomethyl)cyclopropyl]-6-chloro-2-methoxyphenol
CID 117327619

Frequently Asked Questions

What is the IUPAC name of 6-[1-(1-aminoethyl)cyclopropyl]-3-chloro-2-methoxyphenol?
The IUPAC name of 6-[1-(1-aminoethyl)cyclopropyl]-3-chloro-2-methoxyphenol (CID 117356185) is 6-[1-(1-aminoethyl)cyclopropyl]-3-chloro-2-methoxyphenol.
What is the SMILES notation for 6-[1-(1-aminoethyl)cyclopropyl]-3-chloro-2-methoxyphenol?
The canonical SMILES for 6-[1-(1-aminoethyl)cyclopropyl]-3-chloro-2-methoxyphenol is COc1c(Cl)ccc(C2(C(C)N)CC2)c1O.
What is the InChIKey of 6-[1-(1-aminoethyl)cyclopropyl]-3-chloro-2-methoxyphenol?
The InChIKey is WQEWYUYVSPRNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-7(14)12(5-6-12)8-3-4-9(13)11(16-2)10(8)15/h3-4,7,15H,5-6,14H2,1-2H3.
What are the key properties of 6-[1-(1-aminoethyl)cyclopropyl]-3-chloro-2-methoxyphenol?
6-[1-(1-aminoethyl)cyclopropyl]-3-chloro-2-methoxyphenol has a molecular weight of 241.72 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(1-aminoethyl)cyclopropyl]-3-chloro-2-methoxyphenol is sourced from PubChem (CID 117356185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).