1-(2,4-difluorophenyl)-N-[1-(1-methylcyclopropyl)ethyl]ethanamine

C14H19F2N — CID 43680827

IUPAC1-(2,4-difluorophenyl)-N-[1-(1-methylcyclopropyl)ethyl]ethanamine
SMILESCC(NC(C)C1(C)CC1)c1ccc(F)cc1F
InChIInChI=1S/C14H19F2N/c1-9(17-10(2)14(3)6-7-14)12-5-4-11(15)8-13(12)16/h4-5,8-10,17H,6-7H2,1-3H3
InChIKeyGZZTZSQBQXYWLE-UHFFFAOYSA-N
MW239.31 g/mol
LogP3.80
Rot. Bonds4

About 1-(2,4-difluorophenyl)-N-[1-(1-methylcyclopropyl)ethyl]ethanamine

1-(2,4-difluorophenyl)-N-[1-(1-methylcyclopropyl)ethyl]ethanamine (PubChem CID 43680827) has the molecular formula C14H19F2N and a molecular weight of 239.31 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-[1-(1-methylcyclopropyl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-[1-(1-methylcyclopropyl)ethyl]ethanamine
PubChem CID43680827
Molecular FormulaC14H19F2N
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name1-(2,4-difluorophenyl)-N-[1-(1-methylcyclopropyl)ethyl]ethanamine
SMILESCC(NC(C)C1(C)CC1)c1ccc(F)cc1F
InChIInChI=1S/C14H19F2N/c1-9(17-10(2)14(3)6-7-14)12-5-4-11(15)8-13(12)16/h4-5,8-10,17H,6-7H2,1-3H3
InChIKeyGZZTZSQBQXYWLE-UHFFFAOYSA-N
XLogP3.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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
(1S)-N-[1-(2,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81347108
N-(dicyclopropylmethyl)-1-(2,4-difluorophenyl)ethanamine
CID 43204151
(1R)-N-[1-(2,4-difluorophenyl)ethyl]-1-phenylethanamine
CID 78956119
1-(2,4-difluorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]ethanamine
CID 81399961
(1R)-1-(2-methoxyphenyl)-N-[1-(1-methylcyclopropyl)ethyl]ethanamine
CID 81397646
1-(4-bromophenyl)-N-[1-(2,4-difluorophenyl)ethyl]ethanamine
CID 43680812
2-[1-[1-(2,4-difluorophenyl)ethylamino]ethyl]benzene-1,3-diol
CID 107710599
N-[1-(2,4-difluorophenyl)ethyl]-4,4,4-trifluorobutan-2-amine
CID 103775814
N-[1-(2,4-difluorophenyl)ethyl]-1-methoxypropan-2-amine
CID 43191889
(2R)-2-[1-(2,4-difluorophenyl)ethylamino]butan-1-ol
CID 103922371

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-[1-(1-methylcyclopropyl)ethyl]ethanamine?
The IUPAC name of 1-(2,4-difluorophenyl)-N-[1-(1-methylcyclopropyl)ethyl]ethanamine (CID 43680827) is 1-(2,4-difluorophenyl)-N-[1-(1-methylcyclopropyl)ethyl]ethanamine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-[1-(1-methylcyclopropyl)ethyl]ethanamine?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-[1-(1-methylcyclopropyl)ethyl]ethanamine is CC(NC(C)C1(C)CC1)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-[1-(1-methylcyclopropyl)ethyl]ethanamine?
The InChIKey is GZZTZSQBQXYWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N/c1-9(17-10(2)14(3)6-7-14)12-5-4-11(15)8-13(12)16/h4-5,8-10,17H,6-7H2,1-3H3.
What are the key properties of 1-(2,4-difluorophenyl)-N-[1-(1-methylcyclopropyl)ethyl]ethanamine?
1-(2,4-difluorophenyl)-N-[1-(1-methylcyclopropyl)ethyl]ethanamine has a molecular weight of 239.31 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N-[1-(1-methylcyclopropyl)ethyl]ethanamine is sourced from PubChem (CID 43680827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).