N-[1-(2,4-difluorophenyl)ethyl]-1-methoxypropan-2-amine

C12H17F2NO — CID 43191889

IUPACN-[1-(2,4-difluorophenyl)ethyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NC(C)c1ccc(F)cc1F
InChIInChI=1S/C12H17F2NO/c1-8(7-16-3)15-9(2)11-5-4-10(13)6-12(11)14/h4-6,8-9,15H,7H2,1-3H3
InChIKeyYCDLVTMMNUPDPE-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.65
Rot. Bonds5

About N-[1-(2,4-difluorophenyl)ethyl]-1-methoxypropan-2-amine

N-[1-(2,4-difluorophenyl)ethyl]-1-methoxypropan-2-amine (PubChem CID 43191889) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)ethyl]-1-methoxypropan-2-amine.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)ethyl]-1-methoxypropan-2-amine
PubChem CID43191889
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC NameN-[1-(2,4-difluorophenyl)ethyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NC(C)c1ccc(F)cc1F
InChIInChI=1S/C12H17F2NO/c1-8(7-16-3)15-9(2)11-5-4-10(13)6-12(11)14/h4-6,8-9,15H,7H2,1-3H3
InChIKeyYCDLVTMMNUPDPE-UHFFFAOYSA-N
XLogP2.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2,4-difluorophenyl)ethylamino]-3-methoxypropan-1-ol
CID 114094254
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-methoxypropan-2-amine
CID 43758401
N-[1-(2-bromo-4-fluorophenyl)ethyl]-1-methoxypropan-2-amine
CID 115704341
3-[1-(2,4-difluorophenyl)ethylamino]-4-methoxybutan-1-ol
CID 113261939
1-(2,4-difluorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]ethanamine
CID 43680818
N-[1-(2,4-difluorophenyl)ethyl]-4,4,4-trifluorobutan-2-amine
CID 103775814
1-(2,4-difluorophenyl)-N-(2-methoxyethyl)ethanamine
CID 43177273
(2R)-2-[1-(2,4-difluorophenyl)ethylamino]butan-1-ol
CID 103922371
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-[1-(2,6-difluorophenyl)ethyl]-1-methoxypropan-2-amine
CID 43191829
1-(2,4-difluorophenyl)-N-ethyl-2-methoxyethanamine
CID 62801049

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-1-methoxypropan-2-amine?
The IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-1-methoxypropan-2-amine (CID 43191889) is N-[1-(2,4-difluorophenyl)ethyl]-1-methoxypropan-2-amine.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)ethyl]-1-methoxypropan-2-amine?
The canonical SMILES for N-[1-(2,4-difluorophenyl)ethyl]-1-methoxypropan-2-amine is COCC(C)NC(C)c1ccc(F)cc1F.
What is the InChIKey of N-[1-(2,4-difluorophenyl)ethyl]-1-methoxypropan-2-amine?
The InChIKey is YCDLVTMMNUPDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO/c1-8(7-16-3)15-9(2)11-5-4-10(13)6-12(11)14/h4-6,8-9,15H,7H2,1-3H3.
What are the key properties of N-[1-(2,4-difluorophenyl)ethyl]-1-methoxypropan-2-amine?
N-[1-(2,4-difluorophenyl)ethyl]-1-methoxypropan-2-amine has a molecular weight of 229.27 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenyl)ethyl]-1-methoxypropan-2-amine is sourced from PubChem (CID 43191889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).