N-[2-[(3-fluoro-4-methylphenyl)methylidene]butyl]cyclopropanamine

C15H20FN — CID 79329589

IUPACN-[2-[(3-fluoro-4-methylphenyl)methylidene]butyl]cyclopropanamine
SMILESCCC(=Cc1ccc(C)c(F)c1)CNC1CC1
InChIInChI=1S/C15H20FN/c1-3-12(10-17-14-6-7-14)8-13-5-4-11(2)15(16)9-13/h4-5,8-9,14,17H,3,6-7,10H2,1-2H3
InChIKeyHSNDNCOXAOTHKU-UHFFFAOYSA-N
MW233.33 g/mol
LogP3.68
Rot. Bonds5

About N-[2-[(3-fluoro-4-methylphenyl)methylidene]butyl]cyclopropanamine

N-[2-[(3-fluoro-4-methylphenyl)methylidene]butyl]cyclopropanamine (PubChem CID 79329589) has the molecular formula C15H20FN and a molecular weight of 233.33 g/mol. Its IUPAC name is N-[2-[(3-fluoro-4-methylphenyl)methylidene]butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(3-fluoro-4-methylphenyl)methylidene]butyl]cyclopropanamine
PubChem CID79329589
Molecular FormulaC15H20FN
Molecular Weight233.33 g/mol
Exact Mass233.16
IUPAC NameN-[2-[(3-fluoro-4-methylphenyl)methylidene]butyl]cyclopropanamine
SMILESCCC(=Cc1ccc(C)c(F)c1)CNC1CC1
InChIInChI=1S/C15H20FN/c1-3-12(10-17-14-6-7-14)8-13-5-4-11(2)15(16)9-13/h4-5,8-9,14,17H,3,6-7,10H2,1-2H3
InChIKeyHSNDNCOXAOTHKU-UHFFFAOYSA-N
XLogP3.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2Z)-2-[(4-bromo-3-fluorophenyl)methylidene]butyl]cyclopropanamine
CID 81441146
N-[(2Z)-2-[(3-chloro-4-fluorophenyl)methylidene]butyl]cyclopropanamine
CID 81156213
N-[(2Z)-2-[(2-methylquinolin-6-yl)methylidene]butyl]cyclopropanamine
CID 105379766
N-(2-benzylidenebutyl)cyclopropanamine
CID 79329807
N-[2-[(4-cyclopropylphenyl)methylidene]butyl]cyclopropanamine
CID 79978516
N-[2-[(4-phenylphenyl)methylidene]butyl]cyclopropanamine
CID 79329058
N-[2-[(4-propoxyphenyl)methylidene]butyl]cyclopropanamine
CID 79329584
N-[2-[(2,3-dimethylphenyl)methylidene]butyl]cyclopropanamine
CID 79328889
N-[2-[[5-(2-fluorophenyl)thiophen-2-yl]methylidene]butyl]cyclopropanamine
CID 79330415
N-[2-[[5-(4-fluorophenyl)furan-2-yl]methylidene]butyl]cyclopropanamine
CID 79329173
N-[3-methyl-2-[(3,4,5-trifluorophenyl)methylidene]butyl]cyclopropanamine
CID 79339196
(E)-3-(3-fluoro-4-methylphenyl)-2-methylprop-2-enoic acid
CID 55255383

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-fluoro-4-methylphenyl)methylidene]butyl]cyclopropanamine?
The IUPAC name of N-[2-[(3-fluoro-4-methylphenyl)methylidene]butyl]cyclopropanamine (CID 79329589) is N-[2-[(3-fluoro-4-methylphenyl)methylidene]butyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(3-fluoro-4-methylphenyl)methylidene]butyl]cyclopropanamine?
The canonical SMILES for N-[2-[(3-fluoro-4-methylphenyl)methylidene]butyl]cyclopropanamine is CCC(=Cc1ccc(C)c(F)c1)CNC1CC1.
What is the InChIKey of N-[2-[(3-fluoro-4-methylphenyl)methylidene]butyl]cyclopropanamine?
The InChIKey is HSNDNCOXAOTHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN/c1-3-12(10-17-14-6-7-14)8-13-5-4-11(2)15(16)9-13/h4-5,8-9,14,17H,3,6-7,10H2,1-2H3.
What are the key properties of N-[2-[(3-fluoro-4-methylphenyl)methylidene]butyl]cyclopropanamine?
N-[2-[(3-fluoro-4-methylphenyl)methylidene]butyl]cyclopropanamine has a molecular weight of 233.33 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-fluoro-4-methylphenyl)methylidene]butyl]cyclopropanamine is sourced from PubChem (CID 79329589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).