N-[1-(3-fluorophenyl)propyl]-2,2-dimethylcyclopropan-1-amine

C14H20FN — CID 114871515

IUPACN-[1-(3-fluorophenyl)propyl]-2,2-dimethylcyclopropan-1-amine
SMILESCCC(NC1CC1(C)C)c1cccc(F)c1
InChIInChI=1S/C14H20FN/c1-4-12(16-13-9-14(13,2)3)10-6-5-7-11(15)8-10/h5-8,12-13,16H,4,9H2,1-3H3
InChIKeyBPKGQVHMJZWRAR-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.66
Rot. Bonds4

About N-[1-(3-fluorophenyl)propyl]-2,2-dimethylcyclopropan-1-amine

N-[1-(3-fluorophenyl)propyl]-2,2-dimethylcyclopropan-1-amine (PubChem CID 114871515) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)propyl]-2,2-dimethylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)propyl]-2,2-dimethylcyclopropan-1-amine
PubChem CID114871515
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC NameN-[1-(3-fluorophenyl)propyl]-2,2-dimethylcyclopropan-1-amine
SMILESCCC(NC1CC1(C)C)c1cccc(F)c1
InChIInChI=1S/C14H20FN/c1-4-12(16-13-9-14(13,2)3)10-6-5-7-11(15)8-10/h5-8,12-13,16H,4,9H2,1-3H3
InChIKeyBPKGQVHMJZWRAR-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(3-fluorophenyl)propyl]oxolan-3-amine
CID 114871720
(1R)-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 93312415
N-[1-(3-fluorophenyl)propyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 114871649
N-(2-cyclobutylethyl)-1-(3-fluorophenyl)propan-1-amine
CID 114871847
N-[1-(3-fluorophenyl)propyl]-2,6-dimethylpiperidin-1-amine
CID 114871776
N-[1-(3-fluorophenyl)propyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 114871531
[2-[1-(3-fluorophenyl)propylamino]cyclohexyl]methanol
CID 102612788
2-[1-(3-fluorophenyl)propyl]-1,1-dimethylhydrazine
CID 114871774
N-ethoxy-1-(3-fluorophenyl)propan-1-amine
CID 114871757
N-[1-(3-fluorophenyl)propyl]-1,1-dioxothian-3-amine
CID 114871597
N-[(4-ethylcyclohexyl)methyl]-1-(3-fluorophenyl)propan-1-amine
CID 114871425
N-[1-(3-fluorophenyl)propyl]but-2-yn-1-amine
CID 114871834

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)propyl]-2,2-dimethylcyclopropan-1-amine?
The IUPAC name of N-[1-(3-fluorophenyl)propyl]-2,2-dimethylcyclopropan-1-amine (CID 114871515) is N-[1-(3-fluorophenyl)propyl]-2,2-dimethylcyclopropan-1-amine.
What is the SMILES notation for N-[1-(3-fluorophenyl)propyl]-2,2-dimethylcyclopropan-1-amine?
The canonical SMILES for N-[1-(3-fluorophenyl)propyl]-2,2-dimethylcyclopropan-1-amine is CCC(NC1CC1(C)C)c1cccc(F)c1.
What is the InChIKey of N-[1-(3-fluorophenyl)propyl]-2,2-dimethylcyclopropan-1-amine?
The InChIKey is BPKGQVHMJZWRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-4-12(16-13-9-14(13,2)3)10-6-5-7-11(15)8-10/h5-8,12-13,16H,4,9H2,1-3H3.
What are the key properties of N-[1-(3-fluorophenyl)propyl]-2,2-dimethylcyclopropan-1-amine?
N-[1-(3-fluorophenyl)propyl]-2,2-dimethylcyclopropan-1-amine has a molecular weight of 221.32 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)propyl]-2,2-dimethylcyclopropan-1-amine is sourced from PubChem (CID 114871515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).