6-[1-(1-aminoethyl)cyclopropyl]-2-chloro-3,4-dimethylphenol

C13H18ClNO — CID 117352069

IUPAC6-[1-(1-aminoethyl)cyclopropyl]-2-chloro-3,4-dimethylphenol
SMILESCc1cc(C2(C(C)N)CC2)c(O)c(Cl)c1C
InChIInChI=1S/C13H18ClNO/c1-7-6-10(12(16)11(14)8(7)2)13(4-5-13)9(3)15/h6,9,16H,4-5,15H2,1-3H3
InChIKeyBYLVMAPOXFCINL-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.04
Rot. Bonds2

About 6-[1-(1-aminoethyl)cyclopropyl]-2-chloro-3,4-dimethylphenol

6-[1-(1-aminoethyl)cyclopropyl]-2-chloro-3,4-dimethylphenol (PubChem CID 117352069) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 6-[1-(1-aminoethyl)cyclopropyl]-2-chloro-3,4-dimethylphenol.

Molecular Properties

Compound Name6-[1-(1-aminoethyl)cyclopropyl]-2-chloro-3,4-dimethylphenol
PubChem CID117352069
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name6-[1-(1-aminoethyl)cyclopropyl]-2-chloro-3,4-dimethylphenol
SMILESCc1cc(C2(C(C)N)CC2)c(O)c(Cl)c1C
InChIInChI=1S/C13H18ClNO/c1-7-6-10(12(16)11(14)8(7)2)13(4-5-13)9(3)15/h6,9,16H,4-5,15H2,1-3H3
InChIKeyBYLVMAPOXFCINL-UHFFFAOYSA-N
XLogP3.04
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-[1-(1-aminoethyl)cyclopropyl]-2-methoxy-3,4-dimethylphenol
CID 117343281
2-[1-(1-aminoethyl)cyclopropyl]-4-chloro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
CID 117449103
6-[1-(1-aminoethyl)cyclopropyl]-4-chloro-2-methoxy-3-methylphenol
CID 117392662
2-[1-(1-aminoethyl)cyclopropyl]-6-chloro-4-fluorophenol
CID 117331542
5-[1-(1-aminoethyl)cyclopropyl]-2,3-dimethylphenol
CID 117293797
6-[1-(1-aminoethyl)cyclopropyl]-3-chloro-2-methoxyphenol
CID 117356185
5-[1-(1-aminoethyl)cyclopropyl]-4-fluoro-2-methylphenol
CID 117298840
6-[1-(1-aminoethyl)cyclopropyl]-4-bromo-2,3-dihydro-1H-inden-5-ol
CID 117477283
1-[1-(3-chloro-2-fluoro-5,6-dimethylphenyl)cyclopropyl]ethanamine
CID 117356652
5-[1-(1-aminoethyl)cyclopropyl]-2-methoxy-3,4-dimethylphenol
CID 117343267
2-[1-(1-aminoethyl)cyclopropyl]-4,5-dimethylbenzaldehyde
CID 117309973
2-[1-(1-aminoethyl)cyclopropyl]-4-bromo-6-ethylphenol
CID 117457295

Frequently Asked Questions

What is the IUPAC name of 6-[1-(1-aminoethyl)cyclopropyl]-2-chloro-3,4-dimethylphenol?
The IUPAC name of 6-[1-(1-aminoethyl)cyclopropyl]-2-chloro-3,4-dimethylphenol (CID 117352069) is 6-[1-(1-aminoethyl)cyclopropyl]-2-chloro-3,4-dimethylphenol.
What is the SMILES notation for 6-[1-(1-aminoethyl)cyclopropyl]-2-chloro-3,4-dimethylphenol?
The canonical SMILES for 6-[1-(1-aminoethyl)cyclopropyl]-2-chloro-3,4-dimethylphenol is Cc1cc(C2(C(C)N)CC2)c(O)c(Cl)c1C.
What is the InChIKey of 6-[1-(1-aminoethyl)cyclopropyl]-2-chloro-3,4-dimethylphenol?
The InChIKey is BYLVMAPOXFCINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-7-6-10(12(16)11(14)8(7)2)13(4-5-13)9(3)15/h6,9,16H,4-5,15H2,1-3H3.
What are the key properties of 6-[1-(1-aminoethyl)cyclopropyl]-2-chloro-3,4-dimethylphenol?
6-[1-(1-aminoethyl)cyclopropyl]-2-chloro-3,4-dimethylphenol has a molecular weight of 239.75 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(1-aminoethyl)cyclopropyl]-2-chloro-3,4-dimethylphenol is sourced from PubChem (CID 117352069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).