N-[cyclopropyl-(3-fluorophenyl)methyl]propan-1-amine

C13H18FN — CID 60818901

IUPACN-[cyclopropyl-(3-fluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(F)c1)C1CC1
InChIInChI=1S/C13H18FN/c1-2-8-15-13(10-6-7-10)11-4-3-5-12(14)9-11/h3-5,9-10,13,15H,2,6-8H2,1H3
InChIKeyWKNFLHUFQRGRSE-UHFFFAOYSA-N
MW207.29 g/mol
LogP3.28
Rot. Bonds5

About N-[cyclopropyl-(3-fluorophenyl)methyl]propan-1-amine

N-[cyclopropyl-(3-fluorophenyl)methyl]propan-1-amine (PubChem CID 60818901) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is N-[cyclopropyl-(3-fluorophenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclopropyl-(3-fluorophenyl)methyl]propan-1-amine
PubChem CID60818901
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC NameN-[cyclopropyl-(3-fluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(F)c1)C1CC1
InChIInChI=1S/C13H18FN/c1-2-8-15-13(10-6-7-10)11-4-3-5-12(14)9-11/h3-5,9-10,13,15H,2,6-8H2,1H3
InChIKeyWKNFLHUFQRGRSE-UHFFFAOYSA-N
XLogP3.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[7-bicyclo[4.1.0]heptanyl-(3-fluorophenyl)methyl]propan-1-amine
CID 115791823
N-[(3-fluorophenyl)-(4-propylcyclohexyl)methyl]ethanamine
CID 65423582
N-[(3-fluorophenyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine
CID 115791948
N-[(2-ethylcyclohexyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 63861829
N-[cyclopropyl-[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]methyl]propan-1-amine
CID 79098566
N-[cyclobutyl-(3-iodophenyl)methyl]propan-1-amine
CID 105049407
[(3-fluorophenyl)-(4-propylcyclohexyl)methyl]hydrazine
CID 105232271
N-[(3-chlorophenyl)-cyclooctylmethyl]propan-1-amine
CID 80610112
N-[(3-fluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine
CID 114622794
1-(3-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
CID 65424185
N-[2,3-dihydro-1-benzothiophen-2-yl-(3-fluorophenyl)methyl]propan-1-amine
CID 105092704
N-[(3-fluorophenyl)-(oxolan-3-yl)methyl]ethanamine
CID 63563793

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(3-fluorophenyl)methyl]propan-1-amine?
The IUPAC name of N-[cyclopropyl-(3-fluorophenyl)methyl]propan-1-amine (CID 60818901) is N-[cyclopropyl-(3-fluorophenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[cyclopropyl-(3-fluorophenyl)methyl]propan-1-amine?
The canonical SMILES for N-[cyclopropyl-(3-fluorophenyl)methyl]propan-1-amine is CCCNC(c1cccc(F)c1)C1CC1.
What is the InChIKey of N-[cyclopropyl-(3-fluorophenyl)methyl]propan-1-amine?
The InChIKey is WKNFLHUFQRGRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c1-2-8-15-13(10-6-7-10)11-4-3-5-12(14)9-11/h3-5,9-10,13,15H,2,6-8H2,1H3.
What are the key properties of N-[cyclopropyl-(3-fluorophenyl)methyl]propan-1-amine?
N-[cyclopropyl-(3-fluorophenyl)methyl]propan-1-amine has a molecular weight of 207.29 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(3-fluorophenyl)methyl]propan-1-amine is sourced from PubChem (CID 60818901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).