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

C12H16FN — CID 61222650

IUPACN-[(3-fluorophenyl)methyl]-2,2-dimethylcyclopropan-1-amine
SMILESCC1(C)CC1NCc1cccc(F)c1
InChIInChI=1S/C12H16FN/c1-12(2)7-11(12)14-8-9-4-3-5-10(13)6-9/h3-6,11,14H,7-8H2,1-2H3
InChIKeyAVRDEFYOAJRTFZ-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.71
Rot. Bonds3

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

N-[(3-fluorophenyl)methyl]-2,2-dimethylcyclopropan-1-amine (PubChem CID 61222650) has the molecular formula C12H16FN and a molecular weight of 193.27 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-2,2-dimethylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-2,2-dimethylcyclopropan-1-amine
PubChem CID61222650
Molecular FormulaC12H16FN
Molecular Weight193.27 g/mol
Exact Mass193.13
IUPAC NameN-[(3-fluorophenyl)methyl]-2,2-dimethylcyclopropan-1-amine
SMILESCC1(C)CC1NCc1cccc(F)c1
InChIInChI=1S/C12H16FN/c1-12(2)7-11(12)14-8-9-4-3-5-10(13)6-9/h3-6,11,14H,7-8H2,1-2H3
InChIKeyAVRDEFYOAJRTFZ-UHFFFAOYSA-N
XLogP2.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-fluorophenyl)methyl]-5,5-dimethylthian-3-amine
CID 79955611
N-[(3-fluorophenyl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64865045
1-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-methylpropan-1-amine
CID 115708476
1-(3-fluorophenyl)-N-methylmethanamine;methane
CID 144941396
N-[1-(3-fluorophenyl)propan-2-yl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 114830677
N-[[3-(difluoromethyl)phenyl]methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103965604
N-[(3-fluorophenyl)methyl]-3-methylbutan-2-amine
CID 43085072
2,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]cyclopropan-1-amine
CID 61222463
N-[(3-fluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428036
N-[1-(3-fluorophenyl)propyl]-2,2-dimethylcyclopropan-1-amine
CID 114871515
1-[4-[(3-fluorophenyl)methylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 43434840
4-[(3-fluorophenyl)methylamino]-N,N-dimethylpiperidine-1-carboxamide
CID 83201814

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-2,2-dimethylcyclopropan-1-amine?
The IUPAC name of N-[(3-fluorophenyl)methyl]-2,2-dimethylcyclopropan-1-amine (CID 61222650) is N-[(3-fluorophenyl)methyl]-2,2-dimethylcyclopropan-1-amine.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-2,2-dimethylcyclopropan-1-amine?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-2,2-dimethylcyclopropan-1-amine is CC1(C)CC1NCc1cccc(F)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-2,2-dimethylcyclopropan-1-amine?
The InChIKey is AVRDEFYOAJRTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN/c1-12(2)7-11(12)14-8-9-4-3-5-10(13)6-9/h3-6,11,14H,7-8H2,1-2H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-2,2-dimethylcyclopropan-1-amine?
N-[(3-fluorophenyl)methyl]-2,2-dimethylcyclopropan-1-amine has a molecular weight of 193.27 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-2,2-dimethylcyclopropan-1-amine is sourced from PubChem (CID 61222650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).