N-(cyclopropylmethyl)-2-(2,6-difluorophenyl)ethanamine

C12H15F2N — CID 78921629

IUPACN-(cyclopropylmethyl)-2-(2,6-difluorophenyl)ethanamine
SMILESFc1cccc(F)c1CCNCC1CC1
InChIInChI=1S/C12H15F2N/c13-11-2-1-3-12(14)10(11)6-7-15-8-9-4-5-9/h1-3,9,15H,4-8H2
InChIKeyLYWFVTNRTMFGJW-UHFFFAOYSA-N
MW211.25 g/mol
LogP2.51
Rot. Bonds5

About N-(cyclopropylmethyl)-2-(2,6-difluorophenyl)ethanamine

N-(cyclopropylmethyl)-2-(2,6-difluorophenyl)ethanamine (PubChem CID 78921629) has the molecular formula C12H15F2N and a molecular weight of 211.25 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-(2,6-difluorophenyl)ethanamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-(2,6-difluorophenyl)ethanamine
PubChem CID78921629
Molecular FormulaC12H15F2N
Molecular Weight211.25 g/mol
Exact Mass211.12
IUPAC NameN-(cyclopropylmethyl)-2-(2,6-difluorophenyl)ethanamine
SMILESFc1cccc(F)c1CCNCC1CC1
InChIInChI=1S/C12H15F2N/c13-11-2-1-3-12(14)10(11)6-7-15-8-9-4-5-9/h1-3,9,15H,4-8H2
InChIKeyLYWFVTNRTMFGJW-UHFFFAOYSA-N
XLogP2.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-cyclopentyl-N-[(2,6-difluorophenyl)methyl]methanamine
CID 43370931
1-cyclopropyl-N-[(2,3-difluorophenyl)methyl]methanamine
CID 43658793
N-[(2-chloro-6-fluorophenyl)methyl]-1-cyclohexylmethanamine
CID 43215545
2-(4-fluorophenyl)-N-(oxan-4-ylmethyl)ethanamine
CID 55066017
N-(cyclopropylmethyl)-2,3-difluoroaniline
CID 61076617
N-(cyclopentylmethyl)-2-(4-fluorophenyl)ethanamine
CID 61342806
4-[(2-phenylethylamino)methyl]cyclohexan-1-amine
CID 59231059
2-(2-chlorophenyl)-N-(cyclopropylmethyl)ethanamine
CID 60984047
N-[(4-ethylcyclohexyl)methyl]-2-phenylethanamine
CID 55192739
2-[2-(2-chloro-6-fluorophenyl)ethylamino]ethanol
CID 94682382
4-[[2-(4-fluoro-3-methylphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 115239906
1,3-difluoro-2-[2-(4-pentylcyclohexyl)ethyl]benzene
CID 54557681

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-(2,6-difluorophenyl)ethanamine?
The IUPAC name of N-(cyclopropylmethyl)-2-(2,6-difluorophenyl)ethanamine (CID 78921629) is N-(cyclopropylmethyl)-2-(2,6-difluorophenyl)ethanamine.
What is the SMILES notation for N-(cyclopropylmethyl)-2-(2,6-difluorophenyl)ethanamine?
The canonical SMILES for N-(cyclopropylmethyl)-2-(2,6-difluorophenyl)ethanamine is Fc1cccc(F)c1CCNCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-(2,6-difluorophenyl)ethanamine?
The InChIKey is LYWFVTNRTMFGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N/c13-11-2-1-3-12(14)10(11)6-7-15-8-9-4-5-9/h1-3,9,15H,4-8H2.
What are the key properties of N-(cyclopropylmethyl)-2-(2,6-difluorophenyl)ethanamine?
N-(cyclopropylmethyl)-2-(2,6-difluorophenyl)ethanamine has a molecular weight of 211.25 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-(2,6-difluorophenyl)ethanamine is sourced from PubChem (CID 78921629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).