1-(2,4-difluorophenyl)-N-[(1-methoxycyclobutyl)methyl]ethanamine

C14H19F2NO — CID 103980217

IUPAC1-(2,4-difluorophenyl)-N-[(1-methoxycyclobutyl)methyl]ethanamine
SMILESCOC1(CNC(C)c2ccc(F)cc2F)CCC1
InChIInChI=1S/C14H19F2NO/c1-10(12-5-4-11(15)8-13(12)16)17-9-14(18-2)6-3-7-14/h4-5,8,10,17H,3,6-7,9H2,1-2H3
InChIKeyOPQRLHFYEQBSHN-UHFFFAOYSA-N
MW255.31 g/mol
LogP3.18
Rot. Bonds5

About 1-(2,4-difluorophenyl)-N-[(1-methoxycyclobutyl)methyl]ethanamine

1-(2,4-difluorophenyl)-N-[(1-methoxycyclobutyl)methyl]ethanamine (PubChem CID 103980217) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-[(1-methoxycyclobutyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-[(1-methoxycyclobutyl)methyl]ethanamine
PubChem CID103980217
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name1-(2,4-difluorophenyl)-N-[(1-methoxycyclobutyl)methyl]ethanamine
SMILESCOC1(CNC(C)c2ccc(F)cc2F)CCC1
InChIInChI=1S/C14H19F2NO/c1-10(12-5-4-11(15)8-13(12)16)17-9-14(18-2)6-3-7-14/h4-5,8,10,17H,3,6-7,9H2,1-2H3
InChIKeyOPQRLHFYEQBSHN-UHFFFAOYSA-N
XLogP3.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-3-pyridinyl)-N-[(1-methoxycyclobutyl)methyl]ethanamine
CID 113364614
3-fluoro-4-[1-[(3-methoxyoxolan-3-yl)methylamino]ethyl]phenol
CID 107715417
2-[1-[(1-methoxycyclobutyl)methylamino]ethyl]naphthalen-1-ol
CID 104584157
1-(2,4-difluorophenyl)-N-(2-methoxyethyl)ethanamine
CID 43177273
N-[1-(2,4-difluorophenyl)ethyl]-2-methoxy-2-methylpropan-1-amine
CID 113245730
1-[[1-(2-bromo-4-fluorophenyl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 102613571
(2S)-1-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]propan-2-ol
CID 93082006
(2R)-1-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]propan-2-ol
CID 93082005
1-(2,4-difluorophenyl)-N-[(2,4-difluorophenyl)methyl]ethanamine
CID 43221741
1-(2,4-difluorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]ethanamine
CID 43680818
1-[[1-(2,5-difluorophenyl)ethylamino]methyl]cyclopentan-1-ol
CID 65105414
5-fluoro-2-[1-[[1-(hydroxymethyl)cyclopentyl]methylamino]ethyl]phenol
CID 115358531

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-[(1-methoxycyclobutyl)methyl]ethanamine?
The IUPAC name of 1-(2,4-difluorophenyl)-N-[(1-methoxycyclobutyl)methyl]ethanamine (CID 103980217) is 1-(2,4-difluorophenyl)-N-[(1-methoxycyclobutyl)methyl]ethanamine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-[(1-methoxycyclobutyl)methyl]ethanamine?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-[(1-methoxycyclobutyl)methyl]ethanamine is COC1(CNC(C)c2ccc(F)cc2F)CCC1.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-[(1-methoxycyclobutyl)methyl]ethanamine?
The InChIKey is OPQRLHFYEQBSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-10(12-5-4-11(15)8-13(12)16)17-9-14(18-2)6-3-7-14/h4-5,8,10,17H,3,6-7,9H2,1-2H3.
What are the key properties of 1-(2,4-difluorophenyl)-N-[(1-methoxycyclobutyl)methyl]ethanamine?
1-(2,4-difluorophenyl)-N-[(1-methoxycyclobutyl)methyl]ethanamine has a molecular weight of 255.31 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N-[(1-methoxycyclobutyl)methyl]ethanamine is sourced from PubChem (CID 103980217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).