2-[(1-aminocyclopropyl)methyl]-4-chloro-5-methylphenol

C11H14ClNO — CID 117302399

IUPAC2-[(1-aminocyclopropyl)methyl]-4-chloro-5-methylphenol
SMILESCc1cc(O)c(CC2(N)CC2)cc1Cl
InChIInChI=1S/C11H14ClNO/c1-7-4-10(14)8(5-9(7)12)6-11(13)2-3-11/h4-5,14H,2-3,6,13H2,1H3
InChIKeyFLOOOJTUFUONLD-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.39
Rot. Bonds2

About 2-[(1-aminocyclopropyl)methyl]-4-chloro-5-methylphenol

2-[(1-aminocyclopropyl)methyl]-4-chloro-5-methylphenol (PubChem CID 117302399) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 2-[(1-aminocyclopropyl)methyl]-4-chloro-5-methylphenol.

Molecular Properties

Compound Name2-[(1-aminocyclopropyl)methyl]-4-chloro-5-methylphenol
PubChem CID117302399
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name2-[(1-aminocyclopropyl)methyl]-4-chloro-5-methylphenol
SMILESCc1cc(O)c(CC2(N)CC2)cc1Cl
InChIInChI=1S/C11H14ClNO/c1-7-4-10(14)8(5-9(7)12)6-11(13)2-3-11/h4-5,14H,2-3,6,13H2,1H3
InChIKeyFLOOOJTUFUONLD-UHFFFAOYSA-N
XLogP2.39
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-aminocyclopropyl)methyl]-4-chloro-5-methylphenol?
The IUPAC name of 2-[(1-aminocyclopropyl)methyl]-4-chloro-5-methylphenol (CID 117302399) is 2-[(1-aminocyclopropyl)methyl]-4-chloro-5-methylphenol.
What is the SMILES notation for 2-[(1-aminocyclopropyl)methyl]-4-chloro-5-methylphenol?
The canonical SMILES for 2-[(1-aminocyclopropyl)methyl]-4-chloro-5-methylphenol is Cc1cc(O)c(CC2(N)CC2)cc1Cl.
What is the InChIKey of 2-[(1-aminocyclopropyl)methyl]-4-chloro-5-methylphenol?
The InChIKey is FLOOOJTUFUONLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-7-4-10(14)8(5-9(7)12)6-11(13)2-3-11/h4-5,14H,2-3,6,13H2,1H3.
What are the key properties of 2-[(1-aminocyclopropyl)methyl]-4-chloro-5-methylphenol?
2-[(1-aminocyclopropyl)methyl]-4-chloro-5-methylphenol has a molecular weight of 211.69 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-aminocyclopropyl)methyl]-4-chloro-5-methylphenol is sourced from PubChem (CID 117302399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).