N-[[2-(4-fluorophenyl)-2-methylcyclopropyl]methyl]cyclopropanamine

C14H18FN — CID 62712800

IUPACN-[[2-(4-fluorophenyl)-2-methylcyclopropyl]methyl]cyclopropanamine
SMILESCC1(c2ccc(F)cc2)CC1CNC1CC1
InChIInChI=1S/C14H18FN/c1-14(10-2-4-12(15)5-3-10)8-11(14)9-16-13-6-7-13/h2-5,11,13,16H,6-9H2,1H3
InChIKeyPCMGZOUYKSFHKM-UHFFFAOYSA-N
MW219.30 g/mol
LogP2.86
Rot. Bonds4

About N-[[2-(4-fluorophenyl)-2-methylcyclopropyl]methyl]cyclopropanamine

N-[[2-(4-fluorophenyl)-2-methylcyclopropyl]methyl]cyclopropanamine (PubChem CID 62712800) has the molecular formula C14H18FN and a molecular weight of 219.30 g/mol. Its IUPAC name is N-[[2-(4-fluorophenyl)-2-methylcyclopropyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(4-fluorophenyl)-2-methylcyclopropyl]methyl]cyclopropanamine
PubChem CID62712800
Molecular FormulaC14H18FN
Molecular Weight219.30 g/mol
Exact Mass219.14
IUPAC NameN-[[2-(4-fluorophenyl)-2-methylcyclopropyl]methyl]cyclopropanamine
SMILESCC1(c2ccc(F)cc2)CC1CNC1CC1
InChIInChI=1S/C14H18FN/c1-14(10-2-4-12(15)5-3-10)8-11(14)9-16-13-6-7-13/h2-5,11,13,16H,6-9H2,1H3
InChIKeyPCMGZOUYKSFHKM-UHFFFAOYSA-N
XLogP2.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.30
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-methyl-2-(4-propylphenyl)cyclopropyl]methyl]cyclopropanamine
CID 55105975
N-[[2-(2-fluorophenyl)-2-methylcyclopropyl]methyl]cyclopropanamine
CID 62712798
N-[[2-(4-fluorophenyl)-2-methylcyclopropyl]methyl]-2-methoxyethanamine
CID 62714260
N-[[2-(2-fluoro-6-methoxyphenyl)-2-methylcyclopropyl]methyl]cyclopropanamine
CID 113389331
N-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylcyclopropyl]methyl]cyclopropanamine
CID 62714394
N-[[2-(4-bromo-2-fluorophenyl)-2-methylcyclopropyl]methyl]cyclopropanamine
CID 82974071
cis-(1S,2R)-2-(4-fluorophenyl)-2-methylcyclopropan-1-amine
CID 94419746
N-methyl-1-[(2R)-2-methyl-2-(4-methylphenyl)cyclopropyl]methanamine
CID 143290499
1-[2-(3-fluorophenyl)-2-methylcyclopropyl]-N-methylmethanamine
CID 62703823
1-[2-(3-chloro-4-fluorophenyl)-2-methylcyclopropyl]-N-methylmethanamine
CID 62704012
N-[[2-(5-fluoro-2-pyridinyl)-2,3,3-trimethylcyclopropyl]methyl]cyclopropanamine
CID 114229715
N-[[2-(4-fluorophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine
CID 65009606

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-fluorophenyl)-2-methylcyclopropyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(4-fluorophenyl)-2-methylcyclopropyl]methyl]cyclopropanamine (CID 62712800) is N-[[2-(4-fluorophenyl)-2-methylcyclopropyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(4-fluorophenyl)-2-methylcyclopropyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(4-fluorophenyl)-2-methylcyclopropyl]methyl]cyclopropanamine is CC1(c2ccc(F)cc2)CC1CNC1CC1.
What is the InChIKey of N-[[2-(4-fluorophenyl)-2-methylcyclopropyl]methyl]cyclopropanamine?
The InChIKey is PCMGZOUYKSFHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN/c1-14(10-2-4-12(15)5-3-10)8-11(14)9-16-13-6-7-13/h2-5,11,13,16H,6-9H2,1H3.
What are the key properties of N-[[2-(4-fluorophenyl)-2-methylcyclopropyl]methyl]cyclopropanamine?
N-[[2-(4-fluorophenyl)-2-methylcyclopropyl]methyl]cyclopropanamine has a molecular weight of 219.30 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-fluorophenyl)-2-methylcyclopropyl]methyl]cyclopropanamine is sourced from PubChem (CID 62712800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).