N-[3-(5-fluoro-2-methylphenyl)-2-phenylpropyl]cyclopropanamine

C19H22FN — CID 81027097

IUPACN-[3-(5-fluoro-2-methylphenyl)-2-phenylpropyl]cyclopropanamine
SMILESCc1ccc(F)cc1CC(CNC1CC1)c1ccccc1
InChIInChI=1S/C19H22FN/c1-14-7-8-18(20)12-16(14)11-17(13-21-19-9-10-19)15-5-3-2-4-6-15/h2-8,12,17,19,21H,9-11,13H2,1H3
InChIKeyXAZUEOUDILDBGY-UHFFFAOYSA-N
MW283.39 g/mol
LogP4.21
Rot. Bonds6

About N-[3-(5-fluoro-2-methylphenyl)-2-phenylpropyl]cyclopropanamine

N-[3-(5-fluoro-2-methylphenyl)-2-phenylpropyl]cyclopropanamine (PubChem CID 81027097) has the molecular formula C19H22FN and a molecular weight of 283.39 g/mol. Its IUPAC name is N-[3-(5-fluoro-2-methylphenyl)-2-phenylpropyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(5-fluoro-2-methylphenyl)-2-phenylpropyl]cyclopropanamine
PubChem CID81027097
Molecular FormulaC19H22FN
Molecular Weight283.39 g/mol
Exact Mass283.17
IUPAC NameN-[3-(5-fluoro-2-methylphenyl)-2-phenylpropyl]cyclopropanamine
SMILESCc1ccc(F)cc1CC(CNC1CC1)c1ccccc1
InChIInChI=1S/C19H22FN/c1-14-7-8-18(20)12-16(14)11-17(13-21-19-9-10-19)15-5-3-2-4-6-15/h2-8,12,17,19,21H,9-11,13H2,1H3
InChIKeyXAZUEOUDILDBGY-UHFFFAOYSA-N
XLogP4.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(4-fluorophenyl)-3-(2-methylphenyl)propyl]cyclopropanamine
CID 79431035
N-[3-(2-fluorophenyl)-2-(3-methylphenyl)propyl]cyclopropanamine
CID 79422729
N-[3-(2-bromophenyl)-2-(3-fluorophenyl)propyl]cyclopropanamine
CID 79432897
N-[3-(4-ethylphenyl)-2-phenylpropyl]cyclopropanamine
CID 65430983
1-cyclopropyl-N-[(5-fluoro-2-methylphenyl)methyl]-1-phenylmethanamine
CID 103943652
N-[2-(4-bromophenyl)-3-(2-fluorophenyl)propyl]cyclopropanamine
CID 79430772
3-(5-fluoro-2-methylphenyl)-2-(4-fluorophenyl)propan-1-amine
CID 105374999
3-(5-fluoro-2-methylphenyl)-2-(3-fluorophenyl)propan-1-ol
CID 105375972
N-[2-(3-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propyl]cyclopropanamine
CID 79440371
N-[3-(5-bromothiophen-2-yl)-2-(3-fluorophenyl)propyl]cyclopropanamine
CID 79440980
N-[2-(4-bromophenyl)-3-(3-fluorophenyl)propyl]cyclopropanamine
CID 79430769
N-[3-(2-methyl-1,3-thiazol-5-yl)-2-phenylpropyl]cyclopropanamine
CID 65431171

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-fluoro-2-methylphenyl)-2-phenylpropyl]cyclopropanamine?
The IUPAC name of N-[3-(5-fluoro-2-methylphenyl)-2-phenylpropyl]cyclopropanamine (CID 81027097) is N-[3-(5-fluoro-2-methylphenyl)-2-phenylpropyl]cyclopropanamine.
What is the SMILES notation for N-[3-(5-fluoro-2-methylphenyl)-2-phenylpropyl]cyclopropanamine?
The canonical SMILES for N-[3-(5-fluoro-2-methylphenyl)-2-phenylpropyl]cyclopropanamine is Cc1ccc(F)cc1CC(CNC1CC1)c1ccccc1.
What is the InChIKey of N-[3-(5-fluoro-2-methylphenyl)-2-phenylpropyl]cyclopropanamine?
The InChIKey is XAZUEOUDILDBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN/c1-14-7-8-18(20)12-16(14)11-17(13-21-19-9-10-19)15-5-3-2-4-6-15/h2-8,12,17,19,21H,9-11,13H2,1H3.
What are the key properties of N-[3-(5-fluoro-2-methylphenyl)-2-phenylpropyl]cyclopropanamine?
N-[3-(5-fluoro-2-methylphenyl)-2-phenylpropyl]cyclopropanamine has a molecular weight of 283.39 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-fluoro-2-methylphenyl)-2-phenylpropyl]cyclopropanamine is sourced from PubChem (CID 81027097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).