N-[(2-butoxy-3-fluorophenyl)methyl]cyclopropanamine

C14H20FNO — CID 112609819

IUPACN-[(2-butoxy-3-fluorophenyl)methyl]cyclopropanamine
SMILESCCCCOc1c(F)cccc1CNC1CC1
InChIInChI=1S/C14H20FNO/c1-2-3-9-17-14-11(5-4-6-13(14)15)10-16-12-7-8-12/h4-6,12,16H,2-3,7-10H2,1H3
InChIKeyBAMYRJRJJWUKQH-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.26
Rot. Bonds7

About N-[(2-butoxy-3-fluorophenyl)methyl]cyclopropanamine

N-[(2-butoxy-3-fluorophenyl)methyl]cyclopropanamine (PubChem CID 112609819) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is N-[(2-butoxy-3-fluorophenyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2-butoxy-3-fluorophenyl)methyl]cyclopropanamine
PubChem CID112609819
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC NameN-[(2-butoxy-3-fluorophenyl)methyl]cyclopropanamine
SMILESCCCCOc1c(F)cccc1CNC1CC1
InChIInChI=1S/C14H20FNO/c1-2-3-9-17-14-11(5-4-6-13(14)15)10-16-12-7-8-12/h4-6,12,16H,2-3,7-10H2,1H3
InChIKeyBAMYRJRJJWUKQH-UHFFFAOYSA-N
XLogP3.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(2-butoxy-3-fluorophenyl)methyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-fluoro-2-(2-propoxyethoxy)phenyl]methyl]cyclopropanamine
CID 106450602
methyl 3-[2-[(cyclopropylamino)methyl]-6-fluorophenoxy]propanoate
CID 112609795
N-[(2-butoxy-3-fluorophenyl)methyl]propan-1-amine
CID 112609722
N-[[3-fluoro-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 115953672
N-[[2-[(2-bromophenyl)methoxy]-3-fluorophenyl]methyl]cyclopropanamine
CID 115953688
3-[2-[(cyclopropylamino)methyl]-6-fluorophenoxy]propane-1,2-diol
CID 112609791
N-[[2-(2-butoxyethoxy)-3-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 115955145
N-[[2-(3-ethoxypropoxy)-3-methylphenyl]methyl]cyclopropanamine
CID 112610027
N-[[3-fluoro-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 115953557
N-[2-(2,6-difluorophenoxy)ethyl]cyclopropanamine
CID 81268990
N-[(3-fluoro-2-heptoxyphenyl)methyl]propan-2-amine
CID 115954986
N-[[3-fluoro-2-(1-phenylethoxy)phenyl]methyl]cyclopropanamine
CID 115953564

Frequently Asked Questions

What is the IUPAC name of N-[(2-butoxy-3-fluorophenyl)methyl]cyclopropanamine?
The IUPAC name of N-[(2-butoxy-3-fluorophenyl)methyl]cyclopropanamine (CID 112609819) is N-[(2-butoxy-3-fluorophenyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(2-butoxy-3-fluorophenyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(2-butoxy-3-fluorophenyl)methyl]cyclopropanamine is CCCCOc1c(F)cccc1CNC1CC1.
What is the InChIKey of N-[(2-butoxy-3-fluorophenyl)methyl]cyclopropanamine?
The InChIKey is BAMYRJRJJWUKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-2-3-9-17-14-11(5-4-6-13(14)15)10-16-12-7-8-12/h4-6,12,16H,2-3,7-10H2,1H3.
What are the key properties of N-[(2-butoxy-3-fluorophenyl)methyl]cyclopropanamine?
N-[(2-butoxy-3-fluorophenyl)methyl]cyclopropanamine has a molecular weight of 237.32 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-butoxy-3-fluorophenyl)methyl]cyclopropanamine is sourced from PubChem (CID 112609819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).