6-[1-(1-aminoethyl)cyclopropyl]-4-chloro-2-methoxy-3-methylphenol

C13H18ClNO2 — CID 117392662

IUPAC6-[1-(1-aminoethyl)cyclopropyl]-4-chloro-2-methoxy-3-methylphenol
SMILESCOc1c(C)c(Cl)cc(C2(C(C)N)CC2)c1O
InChIInChI=1S/C13H18ClNO2/c1-7-10(14)6-9(11(16)12(7)17-3)13(4-5-13)8(2)15/h6,8,16H,4-5,15H2,1-3H3
InChIKeyLKBZHZGBCLQQEP-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.74
Rot. Bonds3

About 6-[1-(1-aminoethyl)cyclopropyl]-4-chloro-2-methoxy-3-methylphenol

6-[1-(1-aminoethyl)cyclopropyl]-4-chloro-2-methoxy-3-methylphenol (PubChem CID 117392662) has the molecular formula C13H18ClNO2 and a molecular weight of 255.75 g/mol. Its IUPAC name is 6-[1-(1-aminoethyl)cyclopropyl]-4-chloro-2-methoxy-3-methylphenol.

Molecular Properties

Compound Name6-[1-(1-aminoethyl)cyclopropyl]-4-chloro-2-methoxy-3-methylphenol
PubChem CID117392662
Molecular FormulaC13H18ClNO2
Molecular Weight255.75 g/mol
Exact Mass255.10
IUPAC Name6-[1-(1-aminoethyl)cyclopropyl]-4-chloro-2-methoxy-3-methylphenol
SMILESCOc1c(C)c(Cl)cc(C2(C(C)N)CC2)c1O
InChIInChI=1S/C13H18ClNO2/c1-7-10(14)6-9(11(16)12(7)17-3)13(4-5-13)8(2)15/h6,8,16H,4-5,15H2,1-3H3
InChIKeyLKBZHZGBCLQQEP-UHFFFAOYSA-N
XLogP2.74
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[1-(1-aminoethyl)cyclopropyl]-2-methoxy-3,4-dimethylphenol
CID 117343281
6-[1-(1-aminoethyl)cyclopropyl]-3-chloro-2-methoxyphenol
CID 117356185
5-[1-(1-aminoethyl)cyclopropyl]-2-methoxy-3,4-dimethylphenol
CID 117343267
1-[1-(5-chloro-2,3-difluoro-4-methoxyphenyl)cyclopropyl]ethanamine
CID 117409102
6-[1-(1-aminoethyl)cyclopropyl]-2-chloro-3,4-dimethylphenol
CID 117352069
2-[1-(1-aminoethyl)cyclopropyl]-6-chloro-4-fluorophenol
CID 117331542
1-[1-(5-chloro-4-fluoro-2-methoxyphenyl)cyclopropyl]ethanamine
CID 117361282
4-chloro-6-(1-isocyanatocyclobutyl)-2-methoxy-3-methylphenol
CID 117422804
1-[1-(3-bromo-2,5-dimethoxy-4-methylphenyl)cyclopropyl]ethanamine
CID 117499657
3-[1-(1-aminoethyl)cyclopropyl]-4-chloro-5-fluoro-2-methoxyphenol
CID 117403514
1-[1-(3,4,5-trifluoro-2-methoxyphenyl)cyclopropyl]ethanamine
CID 117364491
2-[1-(1-aminoethyl)cyclopropyl]-5-methoxyphenol
CID 117296056

Frequently Asked Questions

What is the IUPAC name of 6-[1-(1-aminoethyl)cyclopropyl]-4-chloro-2-methoxy-3-methylphenol?
The IUPAC name of 6-[1-(1-aminoethyl)cyclopropyl]-4-chloro-2-methoxy-3-methylphenol (CID 117392662) is 6-[1-(1-aminoethyl)cyclopropyl]-4-chloro-2-methoxy-3-methylphenol.
What is the SMILES notation for 6-[1-(1-aminoethyl)cyclopropyl]-4-chloro-2-methoxy-3-methylphenol?
The canonical SMILES for 6-[1-(1-aminoethyl)cyclopropyl]-4-chloro-2-methoxy-3-methylphenol is COc1c(C)c(Cl)cc(C2(C(C)N)CC2)c1O.
What is the InChIKey of 6-[1-(1-aminoethyl)cyclopropyl]-4-chloro-2-methoxy-3-methylphenol?
The InChIKey is LKBZHZGBCLQQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-7-10(14)6-9(11(16)12(7)17-3)13(4-5-13)8(2)15/h6,8,16H,4-5,15H2,1-3H3.
What are the key properties of 6-[1-(1-aminoethyl)cyclopropyl]-4-chloro-2-methoxy-3-methylphenol?
6-[1-(1-aminoethyl)cyclopropyl]-4-chloro-2-methoxy-3-methylphenol has a molecular weight of 255.75 g/mol, XLogP of 2.74, 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]-4-chloro-2-methoxy-3-methylphenol is sourced from PubChem (CID 117392662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).