3-[(cyclopropylamino)methyl]-4-fluoro-5-methylphenol

C11H14FNO — CID 58005743

IUPAC3-[(cyclopropylamino)methyl]-4-fluoro-5-methylphenol
SMILESCc1cc(O)cc(CNC2CC2)c1F
InChIInChI=1S/C11H14FNO/c1-7-4-10(14)5-8(11(7)12)6-13-9-2-3-9/h4-5,9,13-14H,2-3,6H2,1H3
InChIKeyPZUDARRUDODRBI-UHFFFAOYSA-N
MW195.24 g/mol
LogP2.09
Rot. Bonds3

About 3-[(cyclopropylamino)methyl]-4-fluoro-5-methylphenol

3-[(cyclopropylamino)methyl]-4-fluoro-5-methylphenol (PubChem CID 58005743) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 3-[(cyclopropylamino)methyl]-4-fluoro-5-methylphenol.

Molecular Properties

Compound Name3-[(cyclopropylamino)methyl]-4-fluoro-5-methylphenol
PubChem CID58005743
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name3-[(cyclopropylamino)methyl]-4-fluoro-5-methylphenol
SMILESCc1cc(O)cc(CNC2CC2)c1F
InChIInChI=1S/C11H14FNO/c1-7-4-10(14)5-8(11(7)12)6-13-9-2-3-9/h4-5,9,13-14H,2-3,6H2,1H3
InChIKeyPZUDARRUDODRBI-UHFFFAOYSA-N
XLogP2.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(cyclopropylamino)methyl]-4-fluoro-5-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 81427917
4,5-difluoro-2-[[(1-methylpiperidin-4-yl)amino]methyl]phenol
CID 138048351
N-[[5-(3,4-dimethylphenyl)-2-fluorophenyl]methyl]cyclopropanamine
CID 63424844
N-[(2,3,4-trifluorophenyl)methyl]cyclopropanamine
CID 63969871
1-[4-[(5-fluoro-2-methylphenyl)methylamino]piperidin-1-yl]ethanone
CID 103943635
N-[[2-(2-fluoro-3-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 107659667
2-[(cyclobutylamino)methyl]-5-fluorophenol
CID 117220815
N-[(4-methylthiophen-3-yl)methyl]cyclopentanamine
CID 79803372
1-ethyl-N-[(5-fluoro-2-methylphenyl)methyl]piperidin-4-amine
CID 103943629
1-cyclopropyl-N-[(4-fluoro-2-methylphenyl)methyl]piperidin-4-amine
CID 62136121
N-[[5-chloro-2-(4-fluoro-2,6-dimethylphenyl)phenyl]methyl]cyclopropanamine
CID 106879368
2-fluoro-6-[[(4-methylcyclohexyl)amino]methyl]phenol
CID 83295501

Frequently Asked Questions

What is the IUPAC name of 3-[(cyclopropylamino)methyl]-4-fluoro-5-methylphenol?
The IUPAC name of 3-[(cyclopropylamino)methyl]-4-fluoro-5-methylphenol (CID 58005743) is 3-[(cyclopropylamino)methyl]-4-fluoro-5-methylphenol.
What is the SMILES notation for 3-[(cyclopropylamino)methyl]-4-fluoro-5-methylphenol?
The canonical SMILES for 3-[(cyclopropylamino)methyl]-4-fluoro-5-methylphenol is Cc1cc(O)cc(CNC2CC2)c1F.
What is the InChIKey of 3-[(cyclopropylamino)methyl]-4-fluoro-5-methylphenol?
The InChIKey is PZUDARRUDODRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c1-7-4-10(14)5-8(11(7)12)6-13-9-2-3-9/h4-5,9,13-14H,2-3,6H2,1H3.
What are the key properties of 3-[(cyclopropylamino)methyl]-4-fluoro-5-methylphenol?
3-[(cyclopropylamino)methyl]-4-fluoro-5-methylphenol has a molecular weight of 195.24 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclopropylamino)methyl]-4-fluoro-5-methylphenol is sourced from PubChem (CID 58005743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).