N-(dicyclopropylmethyl)-1-(2,4-difluorophenyl)ethanamine

C15H19F2N — CID 43204151

IUPACN-(dicyclopropylmethyl)-1-(2,4-difluorophenyl)ethanamine
SMILESCC(NC(C1CC1)C1CC1)c1ccc(F)cc1F
InChIInChI=1S/C15H19F2N/c1-9(13-7-6-12(16)8-14(13)17)18-15(10-2-3-10)11-4-5-11/h6-11,15,18H,2-5H2,1H3
InChIKeyQYBRYWYTGHYUCS-UHFFFAOYSA-N
MW251.32 g/mol
LogP3.80
Rot. Bonds5

About N-(dicyclopropylmethyl)-1-(2,4-difluorophenyl)ethanamine

N-(dicyclopropylmethyl)-1-(2,4-difluorophenyl)ethanamine (PubChem CID 43204151) has the molecular formula C15H19F2N and a molecular weight of 251.32 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-1-(2,4-difluorophenyl)ethanamine.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-1-(2,4-difluorophenyl)ethanamine
PubChem CID43204151
Molecular FormulaC15H19F2N
Molecular Weight251.32 g/mol
Exact Mass251.15
IUPAC NameN-(dicyclopropylmethyl)-1-(2,4-difluorophenyl)ethanamine
SMILESCC(NC(C1CC1)C1CC1)c1ccc(F)cc1F
InChIInChI=1S/C15H19F2N/c1-9(13-7-6-12(16)8-14(13)17)18-15(10-2-3-10)11-4-5-11/h6-11,15,18H,2-5H2,1H3
InChIKeyQYBRYWYTGHYUCS-UHFFFAOYSA-N
XLogP3.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.32
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-2-fluorophenyl)-N-(dicyclopropylmethyl)ethanamine
CID 82964118
1-(2,4-difluorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]ethanamine
CID 43680818
1-(2,4-difluorophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine
CID 43674206
N-[1-(2,4-difluorophenyl)ethyl]-4-propan-2-ylcycloheptan-1-amine
CID 65086758
(1S)-N-[1-(2,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81347108
N-cyclopropyl-2-[1-(2,4-difluorophenyl)ethylamino]propanamide
CID 78754103
1-(2,4-difluorophenyl)-N-[1-(1-methylcyclopropyl)ethyl]ethanamine
CID 43680827
N-[1-(2,4-difluorophenyl)ethyl]cyclooctanamine
CID 43080967
(1R)-N-[1-(2,4-difluorophenyl)ethyl]-1-phenylethanamine
CID 78956119
N-[1-(2,4-difluorophenyl)ethyl]-4-methylcyclohexan-1-amine
CID 43081227
4-[1-(dicyclopropylmethylamino)ethyl]benzene-1,3-diol
CID 43204126
2-[1-[1-(2,4-difluorophenyl)ethylamino]ethyl]benzene-1,3-diol
CID 107710599

Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-1-(2,4-difluorophenyl)ethanamine?
The IUPAC name of N-(dicyclopropylmethyl)-1-(2,4-difluorophenyl)ethanamine (CID 43204151) is N-(dicyclopropylmethyl)-1-(2,4-difluorophenyl)ethanamine.
What is the SMILES notation for N-(dicyclopropylmethyl)-1-(2,4-difluorophenyl)ethanamine?
The canonical SMILES for N-(dicyclopropylmethyl)-1-(2,4-difluorophenyl)ethanamine is CC(NC(C1CC1)C1CC1)c1ccc(F)cc1F.
What is the InChIKey of N-(dicyclopropylmethyl)-1-(2,4-difluorophenyl)ethanamine?
The InChIKey is QYBRYWYTGHYUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N/c1-9(13-7-6-12(16)8-14(13)17)18-15(10-2-3-10)11-4-5-11/h6-11,15,18H,2-5H2,1H3.
What are the key properties of N-(dicyclopropylmethyl)-1-(2,4-difluorophenyl)ethanamine?
N-(dicyclopropylmethyl)-1-(2,4-difluorophenyl)ethanamine has a molecular weight of 251.32 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-1-(2,4-difluorophenyl)ethanamine is sourced from PubChem (CID 43204151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).