N-[[2-(2,2-difluoroethoxymethyl)phenyl]methyl]propan-1-amine

C13H19F2NO — CID 82006882

IUPACN-[[2-(2,2-difluoroethoxymethyl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccccc1COCC(F)F
InChIInChI=1S/C13H19F2NO/c1-2-7-16-8-11-5-3-4-6-12(11)9-17-10-13(14)15/h3-6,13,16H,2,7-10H2,1H3
InChIKeyCOUHJVISIXERHU-UHFFFAOYSA-N
MW243.30 g/mol
LogP2.97
Rot. Bonds8

About N-[[2-(2,2-difluoroethoxymethyl)phenyl]methyl]propan-1-amine

N-[[2-(2,2-difluoroethoxymethyl)phenyl]methyl]propan-1-amine (PubChem CID 82006882) has the molecular formula C13H19F2NO and a molecular weight of 243.30 g/mol. Its IUPAC name is N-[[2-(2,2-difluoroethoxymethyl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(2,2-difluoroethoxymethyl)phenyl]methyl]propan-1-amine
PubChem CID82006882
Molecular FormulaC13H19F2NO
Molecular Weight243.30 g/mol
Exact Mass243.14
IUPAC NameN-[[2-(2,2-difluoroethoxymethyl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccccc1COCC(F)F
InChIInChI=1S/C13H19F2NO/c1-2-7-16-8-11-5-3-4-6-12(11)9-17-10-13(14)15/h3-6,13,16H,2,7-10H2,1H3
InChIKeyCOUHJVISIXERHU-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(pentoxymethyl)phenyl]methyl]propan-1-amine
CID 62449906
N-[[4-(2,2-difluoroethoxymethyl)-5-methylthiophen-2-yl]methyl]propan-1-amine
CID 82006891
N-[[2-(2-methylpropoxymethyl)phenyl]methyl]ethanamine
CID 62445506
2-(2,2-difluoroethoxy)-N-[(2-methylphenyl)methyl]ethanamine
CID 103081199
N-[[2-(thiophen-2-ylmethoxymethyl)phenyl]methyl]propan-1-amine
CID 62484744
[2-(2,2-difluoroethoxymethyl)phenyl]methanamine
CID 82005242
N-[[2-[(2-ethylphenoxy)methyl]phenyl]methyl]propan-1-amine
CID 63496111
N-[[2-[(4-methylcyclohexyl)oxymethyl]phenyl]methyl]propan-1-amine
CID 62445478
3-[2-(propylaminomethyl)phenyl]propanal
CID 135192153
N-[[2-(2-ethylhexoxymethyl)phenyl]methyl]ethanamine
CID 63490739
1-[(2-fluorophenyl)methoxy]-3-(propylamino)propan-2-ol
CID 60634200
N-[[2-(2,2-difluoroethoxy)quinolin-4-yl]methyl]propan-1-amine
CID 82005872

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,2-difluoroethoxymethyl)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(2,2-difluoroethoxymethyl)phenyl]methyl]propan-1-amine (CID 82006882) is N-[[2-(2,2-difluoroethoxymethyl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(2,2-difluoroethoxymethyl)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(2,2-difluoroethoxymethyl)phenyl]methyl]propan-1-amine is CCCNCc1ccccc1COCC(F)F.
What is the InChIKey of N-[[2-(2,2-difluoroethoxymethyl)phenyl]methyl]propan-1-amine?
The InChIKey is COUHJVISIXERHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO/c1-2-7-16-8-11-5-3-4-6-12(11)9-17-10-13(14)15/h3-6,13,16H,2,7-10H2,1H3.
What are the key properties of N-[[2-(2,2-difluoroethoxymethyl)phenyl]methyl]propan-1-amine?
N-[[2-(2,2-difluoroethoxymethyl)phenyl]methyl]propan-1-amine has a molecular weight of 243.30 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,2-difluoroethoxymethyl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 82006882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).