N-[[4-(difluoromethyl)phenyl]methyl]-2-methoxyethanamine

C11H15F2NO — CID 115523365

IUPACN-[[4-(difluoromethyl)phenyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccc(C(F)F)cc1
InChIInChI=1S/C11H15F2NO/c1-15-7-6-14-8-9-2-4-10(5-3-9)11(12)13/h2-5,11,14H,6-8H2,1H3
InChIKeyXJWGIQZELURFAE-UHFFFAOYSA-N
MW215.24 g/mol
LogP2.36
Rot. Bonds6

About N-[[4-(difluoromethyl)phenyl]methyl]-2-methoxyethanamine

N-[[4-(difluoromethyl)phenyl]methyl]-2-methoxyethanamine (PubChem CID 115523365) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is N-[[4-(difluoromethyl)phenyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[4-(difluoromethyl)phenyl]methyl]-2-methoxyethanamine
PubChem CID115523365
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC NameN-[[4-(difluoromethyl)phenyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccc(C(F)F)cc1
InChIInChI=1S/C11H15F2NO/c1-15-7-6-14-8-9-2-4-10(5-3-9)11(12)13/h2-5,11,14H,6-8H2,1H3
InChIKeyXJWGIQZELURFAE-UHFFFAOYSA-N
XLogP2.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 52.36
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-benzyl-2-methoxyethanamine;fluoromethane
CID 176962791
4-[(2-methoxyethylamino)methyl]aniline
CID 22569430
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CID 115523961
2-methoxy-N-[[4-(2-methylpropylsulfanyl)phenyl]methyl]ethanamine
CID 63807612
1-[4-(difluoromethyl)phenyl]-N-methoxymethanamine
CID 82706582
N-[[4-(2-ethylbutoxy)phenyl]methyl]-2-methoxyethanamine
CID 82927436
N-[[4-(difluoromethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 115523367
2-methoxy-N-[[4-(3-methoxypropoxy)phenyl]methyl]ethanamine
CID 55146437
N-[2-[[4-(difluoromethyl)phenyl]methylamino]ethyl]methanesulfonamide
CID 113328290
N-(2-methoxyethyl)-N'-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine
CID 54810062
1-[4-(difluoromethyl)phenyl]-N-methylmethanamine
CID 84654057
N-(2-methoxyethyl)-N'-[(4-methylsulfanylphenyl)methyl]ethane-1,2-diamine
CID 113405500

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethyl)phenyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[4-(difluoromethyl)phenyl]methyl]-2-methoxyethanamine (CID 115523365) is N-[[4-(difluoromethyl)phenyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[4-(difluoromethyl)phenyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[4-(difluoromethyl)phenyl]methyl]-2-methoxyethanamine is COCCNCc1ccc(C(F)F)cc1.
What is the InChIKey of N-[[4-(difluoromethyl)phenyl]methyl]-2-methoxyethanamine?
The InChIKey is XJWGIQZELURFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-15-7-6-14-8-9-2-4-10(5-3-9)11(12)13/h2-5,11,14H,6-8H2,1H3.
What are the key properties of N-[[4-(difluoromethyl)phenyl]methyl]-2-methoxyethanamine?
N-[[4-(difluoromethyl)phenyl]methyl]-2-methoxyethanamine has a molecular weight of 215.24 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethyl)phenyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 115523365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).