3-(1-aminocyclopropyl)-4-chloro-5-methylphenol

C10H12ClNO — CID 84774677

IUPAC3-(1-aminocyclopropyl)-4-chloro-5-methylphenol
SMILESCc1cc(O)cc(C2(N)CC2)c1Cl
InChIInChI=1S/C10H12ClNO/c1-6-4-7(13)5-8(9(6)11)10(12)2-3-10/h4-5,13H,2-3,12H2,1H3
InChIKeyWUYUBZQVVBVIJY-UHFFFAOYSA-N
MW197.67 g/mol
LogP2.30
Rot. Bonds1

About 3-(1-aminocyclopropyl)-4-chloro-5-methylphenol

3-(1-aminocyclopropyl)-4-chloro-5-methylphenol (PubChem CID 84774677) has the molecular formula C10H12ClNO and a molecular weight of 197.67 g/mol. Its IUPAC name is 3-(1-aminocyclopropyl)-4-chloro-5-methylphenol.

Molecular Properties

Compound Name3-(1-aminocyclopropyl)-4-chloro-5-methylphenol
PubChem CID84774677
Molecular FormulaC10H12ClNO
Molecular Weight197.67 g/mol
Exact Mass197.06
IUPAC Name3-(1-aminocyclopropyl)-4-chloro-5-methylphenol
SMILESCc1cc(O)cc(C2(N)CC2)c1Cl
InChIInChI=1S/C10H12ClNO/c1-6-4-7(13)5-8(9(6)11)10(12)2-3-10/h4-5,13H,2-3,12H2,1H3
InChIKeyWUYUBZQVVBVIJY-UHFFFAOYSA-N
XLogP2.30
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2,3-dimethylphenyl)cyclopropan-1-amine
CID 84773855
2-(1-aminocyclopropyl)-6-chloro-3,5-dimethylphenol
CID 84782027
2-[1-(2-chloro-5-hydroxy-3-methylphenyl)cyclopropyl]acetic acid
CID 84800621
3-(1-aminocyclohexyl)-4-bromo-5-methylphenol
CID 84813037
4-(1-aminocyclopropyl)-2-chloro-3-methoxy-6-methylphenol
CID 84791831
4-amino-3-(1-aminocyclopropyl)phenol
CID 115012955
6-(1-aminocyclopropyl)-3,4-dimethylbenzene-1,2-diol
CID 117283660
2-(1-aminocyclopropyl)-6-chloro-3,4-dimethylphenol
CID 84782034
4-(1-aminocyclopropyl)-3-chloro-5-fluorophenol
CID 84776502
1-(4-chloro-3,5-dimethylphenyl)cyclopentan-1-amine
CID 84789567
4-(1-aminocyclopropyl)-3-methoxyphenol
CID 84732182
benzene;4-chloro-3,5-dimethylphenol;phenol
CID 174934171

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminocyclopropyl)-4-chloro-5-methylphenol?
The IUPAC name of 3-(1-aminocyclopropyl)-4-chloro-5-methylphenol (CID 84774677) is 3-(1-aminocyclopropyl)-4-chloro-5-methylphenol.
What is the SMILES notation for 3-(1-aminocyclopropyl)-4-chloro-5-methylphenol?
The canonical SMILES for 3-(1-aminocyclopropyl)-4-chloro-5-methylphenol is Cc1cc(O)cc(C2(N)CC2)c1Cl.
What is the InChIKey of 3-(1-aminocyclopropyl)-4-chloro-5-methylphenol?
The InChIKey is WUYUBZQVVBVIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c1-6-4-7(13)5-8(9(6)11)10(12)2-3-10/h4-5,13H,2-3,12H2,1H3.
What are the key properties of 3-(1-aminocyclopropyl)-4-chloro-5-methylphenol?
3-(1-aminocyclopropyl)-4-chloro-5-methylphenol has a molecular weight of 197.67 g/mol, XLogP of 2.30, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminocyclopropyl)-4-chloro-5-methylphenol is sourced from PubChem (CID 84774677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).