N-[[2,4-bis(difluoromethoxy)phenyl]methyl]-1-cyclopropylethanamine

C14H17F4NO2 — CID 43400195

IUPACN-[[2,4-bis(difluoromethoxy)phenyl]methyl]-1-cyclopropylethanamine
SMILESCC(NCc1ccc(OC(F)F)cc1OC(F)F)C1CC1
InChIInChI=1S/C14H17F4NO2/c1-8(9-2-3-9)19-7-10-4-5-11(20-13(15)16)6-12(10)21-14(17)18/h4-6,8-9,13-14,19H,2-3,7H2,1H3
InChIKeyHCTNJVAIPMPQAF-UHFFFAOYSA-N
MW307.29 g/mol
LogP3.78
Rot. Bonds8

About N-[[2,4-bis(difluoromethoxy)phenyl]methyl]-1-cyclopropylethanamine

N-[[2,4-bis(difluoromethoxy)phenyl]methyl]-1-cyclopropylethanamine (PubChem CID 43400195) has the molecular formula C14H17F4NO2 and a molecular weight of 307.29 g/mol. Its IUPAC name is N-[[2,4-bis(difluoromethoxy)phenyl]methyl]-1-cyclopropylethanamine.

Molecular Properties

Compound NameN-[[2,4-bis(difluoromethoxy)phenyl]methyl]-1-cyclopropylethanamine
PubChem CID43400195
Molecular FormulaC14H17F4NO2
Molecular Weight307.29 g/mol
Exact Mass307.12
IUPAC NameN-[[2,4-bis(difluoromethoxy)phenyl]methyl]-1-cyclopropylethanamine
SMILESCC(NCc1ccc(OC(F)F)cc1OC(F)F)C1CC1
InChIInChI=1S/C14H17F4NO2/c1-8(9-2-3-9)19-7-10-4-5-11(20-13(15)16)6-12(10)21-14(17)18/h4-6,8-9,13-14,19H,2-3,7H2,1H3
InChIKeyHCTNJVAIPMPQAF-UHFFFAOYSA-N
XLogP3.78
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.29
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]ethanamine
CID 43400133
N-[[2,4-bis(difluoromethoxy)phenyl]methyl]but-3-yn-2-amine
CID 114414934
2-[[2,4-bis(difluoromethoxy)phenyl]methylamino]propanamide
CID 43402355
N-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103769004
(2S)-2-[[2,4-bis(difluoromethoxy)phenyl]methylamino]butan-1-ol
CID 104980379
1-[2,4-bis(difluoromethoxy)phenyl]-N-[(1-methylcyclopropyl)methyl]methanamine
CID 103724428
1-[2-(difluoromethoxy)-4-methoxyphenyl]-N-methylmethanamine
CID 61270001
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-1-(oxolan-3-yl)ethanamine
CID 115889295
1-[[2,4-bis(difluoromethoxy)phenyl]methylamino]-2-methylpropan-2-ol
CID 63932490
methyl 2-[[2,4-bis(difluoromethoxy)phenyl]methylamino]acetate
CID 43503462
N-[[2,4-bis(difluoromethoxy)phenyl]methyl]-2-methylsulfanylethanamine
CID 60658322
(3R)-N-[[2,4-bis(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide
CID 124741336

Frequently Asked Questions

What is the IUPAC name of N-[[2,4-bis(difluoromethoxy)phenyl]methyl]-1-cyclopropylethanamine?
The IUPAC name of N-[[2,4-bis(difluoromethoxy)phenyl]methyl]-1-cyclopropylethanamine (CID 43400195) is N-[[2,4-bis(difluoromethoxy)phenyl]methyl]-1-cyclopropylethanamine.
What is the SMILES notation for N-[[2,4-bis(difluoromethoxy)phenyl]methyl]-1-cyclopropylethanamine?
The canonical SMILES for N-[[2,4-bis(difluoromethoxy)phenyl]methyl]-1-cyclopropylethanamine is CC(NCc1ccc(OC(F)F)cc1OC(F)F)C1CC1.
What is the InChIKey of N-[[2,4-bis(difluoromethoxy)phenyl]methyl]-1-cyclopropylethanamine?
The InChIKey is HCTNJVAIPMPQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F4NO2/c1-8(9-2-3-9)19-7-10-4-5-11(20-13(15)16)6-12(10)21-14(17)18/h4-6,8-9,13-14,19H,2-3,7H2,1H3.
What are the key properties of N-[[2,4-bis(difluoromethoxy)phenyl]methyl]-1-cyclopropylethanamine?
N-[[2,4-bis(difluoromethoxy)phenyl]methyl]-1-cyclopropylethanamine has a molecular weight of 307.29 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2,4-bis(difluoromethoxy)phenyl]methyl]-1-cyclopropylethanamine is sourced from PubChem (CID 43400195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).