N-[2-[(3-fluorophenyl)methyl]-3-(furan-2-yl)propyl]cyclopropanamine

C17H20FNO — CID 62998866

IUPACN-[2-[(3-fluorophenyl)methyl]-3-(furan-2-yl)propyl]cyclopropanamine
SMILESFc1cccc(CC(CNC2CC2)Cc2ccco2)c1
InChIInChI=1S/C17H20FNO/c18-15-4-1-3-13(10-15)9-14(12-19-16-6-7-16)11-17-5-2-8-20-17/h1-5,8,10,14,16,19H,6-7,9,11-12H2
InChIKeyGAMBULVYDWZVAZ-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.57
Rot. Bonds7

About N-[2-[(3-fluorophenyl)methyl]-3-(furan-2-yl)propyl]cyclopropanamine

N-[2-[(3-fluorophenyl)methyl]-3-(furan-2-yl)propyl]cyclopropanamine (PubChem CID 62998866) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is N-[2-[(3-fluorophenyl)methyl]-3-(furan-2-yl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(3-fluorophenyl)methyl]-3-(furan-2-yl)propyl]cyclopropanamine
PubChem CID62998866
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC NameN-[2-[(3-fluorophenyl)methyl]-3-(furan-2-yl)propyl]cyclopropanamine
SMILESFc1cccc(CC(CNC2CC2)Cc2ccco2)c1
InChIInChI=1S/C17H20FNO/c18-15-4-1-3-13(10-15)9-14(12-19-16-6-7-16)11-17-5-2-8-20-17/h1-5,8,10,14,16,19H,6-7,9,11-12H2
InChIKeyGAMBULVYDWZVAZ-UHFFFAOYSA-N
XLogP3.57
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-fluorophenyl)methyl]-3-(furan-2-yl)-N-(2-methylpropyl)propan-1-amine
CID 62998868
2-[(3-fluorophenyl)methyl]-3-(furan-2-yl)-N-propylpropan-1-amine
CID 62998676
N-[2-[(3-fluorophenyl)methyl]pentyl]cyclopropanamine
CID 62528134
N-[4-(3-fluorophenyl)-2,3-dimethylbutyl]cyclopropanamine
CID 81016597
N'-cyclobutyl-2-(furan-2-ylmethyl)propane-1,3-diamine
CID 117246184
1-(3-fluorophenyl)-N-(furan-2-ylmethyl)propan-2-amine
CID 115634120
N-[2-[(3-chlorophenyl)methyl]-3-(furan-3-yl)propyl]cyclopropanamine
CID 83183192
N-[2-(4-bromophenyl)-3-(3-fluorophenyl)propyl]cyclopropanamine
CID 79430769
N-[2-benzyl-3-(3-methylphenyl)propyl]cyclopropanamine
CID 62531282
1-N-cyclopentyl-3-(furan-2-yl)propane-1,2-diamine
CID 117246076
N-[1-(3-fluorophenyl)propan-2-yl]cyclopropanamine
CID 115704573
2-[(3-bromophenyl)methyl]-3-(furan-2-yl)-N-(2-methylpropyl)propan-1-amine
CID 63521934

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-fluorophenyl)methyl]-3-(furan-2-yl)propyl]cyclopropanamine?
The IUPAC name of N-[2-[(3-fluorophenyl)methyl]-3-(furan-2-yl)propyl]cyclopropanamine (CID 62998866) is N-[2-[(3-fluorophenyl)methyl]-3-(furan-2-yl)propyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(3-fluorophenyl)methyl]-3-(furan-2-yl)propyl]cyclopropanamine?
The canonical SMILES for N-[2-[(3-fluorophenyl)methyl]-3-(furan-2-yl)propyl]cyclopropanamine is Fc1cccc(CC(CNC2CC2)Cc2ccco2)c1.
What is the InChIKey of N-[2-[(3-fluorophenyl)methyl]-3-(furan-2-yl)propyl]cyclopropanamine?
The InChIKey is GAMBULVYDWZVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c18-15-4-1-3-13(10-15)9-14(12-19-16-6-7-16)11-17-5-2-8-20-17/h1-5,8,10,14,16,19H,6-7,9,11-12H2.
What are the key properties of N-[2-[(3-fluorophenyl)methyl]-3-(furan-2-yl)propyl]cyclopropanamine?
N-[2-[(3-fluorophenyl)methyl]-3-(furan-2-yl)propyl]cyclopropanamine has a molecular weight of 273.35 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-fluorophenyl)methyl]-3-(furan-2-yl)propyl]cyclopropanamine is sourced from PubChem (CID 62998866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).