N-[(2-fluorophenyl)-(2-methylcyclopropyl)methyl]ethanamine

C13H18FN — CID 65421935

IUPACN-[(2-fluorophenyl)-(2-methylcyclopropyl)methyl]ethanamine
SMILESCCNC(c1ccccc1F)C1CC1C
InChIInChI=1S/C13H18FN/c1-3-15-13(11-8-9(11)2)10-6-4-5-7-12(10)14/h4-7,9,11,13,15H,3,8H2,1-2H3
InChIKeyCSKAEWJFROHZAO-UHFFFAOYSA-N
MW207.29 g/mol
LogP3.13
Rot. Bonds4

About N-[(2-fluorophenyl)-(2-methylcyclopropyl)methyl]ethanamine

N-[(2-fluorophenyl)-(2-methylcyclopropyl)methyl]ethanamine (PubChem CID 65421935) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is N-[(2-fluorophenyl)-(2-methylcyclopropyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)-(2-methylcyclopropyl)methyl]ethanamine
PubChem CID65421935
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC NameN-[(2-fluorophenyl)-(2-methylcyclopropyl)methyl]ethanamine
SMILESCCNC(c1ccccc1F)C1CC1C
InChIInChI=1S/C13H18FN/c1-3-15-13(11-8-9(11)2)10-6-4-5-7-12(10)14/h4-7,9,11,13,15H,3,8H2,1-2H3
InChIKeyCSKAEWJFROHZAO-UHFFFAOYSA-N
XLogP3.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,6-difluorophenyl)-(2-methylcyclopropyl)methyl]ethanamine
CID 65419554
N-[(2-fluoro-5-methylphenyl)-(2-methylcyclopropyl)methyl]ethanamine
CID 65421716
N-[(2-fluoro-4-methoxyphenyl)-(2-methylcyclopropyl)methyl]ethanamine
CID 43561496
N-[(2-chloro-5-fluorophenyl)-(2-methylcyclopropyl)methyl]ethanamine
CID 105395094
N-[(5-fluoro-2-methylphenyl)-(2-methylcyclopropyl)methyl]ethanamine
CID 65419979
N-[[2-(2-methoxyethoxy)phenyl]-(2-methylcyclopropyl)methyl]ethanamine
CID 104660326
N-[(3-bromo-2,6-difluorophenyl)-(2-methylcyclopropyl)methyl]ethanamine
CID 106942650
N-[(2-methylcyclopropyl)-[2-methyl-4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 102754363
N-[(2-methylcyclopropyl)-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 65420429
N-[(3-fluoro-4-pyridinyl)-(2-phenylcyclopropyl)methyl]ethanamine
CID 116517837
N-[(2,6-difluoro-4-methoxyphenyl)-(2-methylcyclopropyl)methyl]ethanamine
CID 54880573
N-[(3,5-dimethylcyclohexyl)-(2-methylphenyl)methyl]ethanamine
CID 64731101

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)-(2-methylcyclopropyl)methyl]ethanamine?
The IUPAC name of N-[(2-fluorophenyl)-(2-methylcyclopropyl)methyl]ethanamine (CID 65421935) is N-[(2-fluorophenyl)-(2-methylcyclopropyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-fluorophenyl)-(2-methylcyclopropyl)methyl]ethanamine?
The canonical SMILES for N-[(2-fluorophenyl)-(2-methylcyclopropyl)methyl]ethanamine is CCNC(c1ccccc1F)C1CC1C.
What is the InChIKey of N-[(2-fluorophenyl)-(2-methylcyclopropyl)methyl]ethanamine?
The InChIKey is CSKAEWJFROHZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c1-3-15-13(11-8-9(11)2)10-6-4-5-7-12(10)14/h4-7,9,11,13,15H,3,8H2,1-2H3.
What are the key properties of N-[(2-fluorophenyl)-(2-methylcyclopropyl)methyl]ethanamine?
N-[(2-fluorophenyl)-(2-methylcyclopropyl)methyl]ethanamine has a molecular weight of 207.29 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)-(2-methylcyclopropyl)methyl]ethanamine is sourced from PubChem (CID 65421935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).