1-(2,5-difluoro-4-methylphenyl)-N-phenylmethoxyethanamine

C16H17F2NO — CID 82710401

IUPAC1-(2,5-difluoro-4-methylphenyl)-N-phenylmethoxyethanamine
SMILESCc1cc(F)c(C(C)NOCc2ccccc2)cc1F
InChIInChI=1S/C16H17F2NO/c1-11-8-16(18)14(9-15(11)17)12(2)19-20-10-13-6-4-3-5-7-13/h3-9,12,19H,10H2,1-2H3
InChIKeyPBANDYVMEZVBLN-UHFFFAOYSA-N
MW277.31 g/mol
LogP4.06
Rot. Bonds5

About 1-(2,5-difluoro-4-methylphenyl)-N-phenylmethoxyethanamine

1-(2,5-difluoro-4-methylphenyl)-N-phenylmethoxyethanamine (PubChem CID 82710401) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is 1-(2,5-difluoro-4-methylphenyl)-N-phenylmethoxyethanamine.

Molecular Properties

Compound Name1-(2,5-difluoro-4-methylphenyl)-N-phenylmethoxyethanamine
PubChem CID82710401
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name1-(2,5-difluoro-4-methylphenyl)-N-phenylmethoxyethanamine
SMILESCc1cc(F)c(C(C)NOCc2ccccc2)cc1F
InChIInChI=1S/C16H17F2NO/c1-11-8-16(18)14(9-15(11)17)12(2)19-20-10-13-6-4-3-5-7-13/h3-9,12,19H,10H2,1-2H3
InChIKeyPBANDYVMEZVBLN-UHFFFAOYSA-N
XLogP4.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-phenylmethoxy-1-(2,4,5-trimethylphenyl)ethanamine
CID 82708946
1-(2,5-difluoro-4-methylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine
CID 82710749
2-[1-(phenylmethoxyamino)ethyl]benzene-1,3-diol
CID 107711187
1-[4-(2-methylpropyl)phenyl]-N-phenylmethoxyethanamine
CID 82712557
1-(2,4-difluoro-5-methylphenyl)-2-phenylethanol
CID 79731266
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-phenylmethoxyethanamine
CID 82712701
1-(phenylmethoxyamino)ethylphosphonous acid
CID 19880141
4-phenyl-N-phenylmethoxybutan-2-amine
CID 82709894
(1R)-N-[1-(2,5-difluoro-4-methylphenyl)ethyl]-1-(furan-2-yl)ethanamine
CID 81403834
1-(2,5-difluoro-4-methylphenyl)-N-(pyridazin-3-ylmethyl)ethanamine
CID 106895273
2,5-difluoro-4-methyl-N-(4-phenylbutan-2-yl)aniline
CID 103585001
1-bromo-5-fluoro-4-methyl-2-phenylmethoxybenzene
CID 164894745

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluoro-4-methylphenyl)-N-phenylmethoxyethanamine?
The IUPAC name of 1-(2,5-difluoro-4-methylphenyl)-N-phenylmethoxyethanamine (CID 82710401) is 1-(2,5-difluoro-4-methylphenyl)-N-phenylmethoxyethanamine.
What is the SMILES notation for 1-(2,5-difluoro-4-methylphenyl)-N-phenylmethoxyethanamine?
The canonical SMILES for 1-(2,5-difluoro-4-methylphenyl)-N-phenylmethoxyethanamine is Cc1cc(F)c(C(C)NOCc2ccccc2)cc1F.
What is the InChIKey of 1-(2,5-difluoro-4-methylphenyl)-N-phenylmethoxyethanamine?
The InChIKey is PBANDYVMEZVBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c1-11-8-16(18)14(9-15(11)17)12(2)19-20-10-13-6-4-3-5-7-13/h3-9,12,19H,10H2,1-2H3.
What are the key properties of 1-(2,5-difluoro-4-methylphenyl)-N-phenylmethoxyethanamine?
1-(2,5-difluoro-4-methylphenyl)-N-phenylmethoxyethanamine has a molecular weight of 277.31 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluoro-4-methylphenyl)-N-phenylmethoxyethanamine is sourced from PubChem (CID 82710401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).