N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methoxyethanamine

C12H17F2NO3 — CID 63062845

IUPACN-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cc(OC)ccc1OC(F)F
InChIInChI=1S/C12H17F2NO3/c1-16-6-5-15-8-9-7-10(17-2)3-4-11(9)18-12(13)14/h3-4,7,12,15H,5-6,8H2,1-2H3
InChIKeyWLPFNUHZNVZJOZ-UHFFFAOYSA-N
MW261.27 g/mol
LogP2.03
Rot. Bonds8

About N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methoxyethanamine

N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methoxyethanamine (PubChem CID 63062845) has the molecular formula C12H17F2NO3 and a molecular weight of 261.27 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methoxyethanamine
PubChem CID63062845
Molecular FormulaC12H17F2NO3
Molecular Weight261.27 g/mol
Exact Mass261.12
IUPAC NameN-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cc(OC)ccc1OC(F)F
InChIInChI=1S/C12H17F2NO3/c1-16-6-5-15-8-9-7-10(17-2)3-4-11(9)18-12(13)14/h3-4,7,12,15H,5-6,8H2,1-2H3
InChIKeyWLPFNUHZNVZJOZ-UHFFFAOYSA-N
XLogP2.03
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-(2-methoxyethylamino)acetamide
CID 119816348
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2-methoxyethanamine
CID 43220291
2-methoxy-N-[[5-methoxy-2-(2-methylpropoxy)phenyl]methyl]ethanamine
CID 63063528
3-[[2-(difluoromethoxy)-5-methoxyphenyl]methylamino]-2-methylpropan-1-ol
CID 111121970
2-methoxy-N-[(5-methoxy-2-prop-2-enoxyphenyl)methyl]ethanamine
CID 63062163
5-[4-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]pentanenitrile
CID 63063532
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-5-methoxypentan-1-amine
CID 103631883
3-[4-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]propanamide
CID 63061286
N-[[2-(cyclopropylmethoxymethoxy)-5-methoxyphenyl]methyl]-2-methoxyethanamine
CID 106929257
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62844304
3-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-1,1,2-trimethylguanidine
CID 86781177
1-[2-(difluoromethoxy)-4-methoxyphenyl]-N-methylmethanamine
CID 61270001

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methoxyethanamine (CID 63062845) is N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methoxyethanamine is COCCNCc1cc(OC)ccc1OC(F)F.
What is the InChIKey of N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methoxyethanamine?
The InChIKey is WLPFNUHZNVZJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO3/c1-16-6-5-15-8-9-7-10(17-2)3-4-11(9)18-12(13)14/h3-4,7,12,15H,5-6,8H2,1-2H3.
What are the key properties of N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methoxyethanamine?
N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methoxyethanamine has a molecular weight of 261.27 g/mol, XLogP of 2.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 63062845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).