N-[[4-(difluoromethyl)phenyl]methyl]-N-ethylethanamine

C12H17F2N — CID 85090262

IUPACN-[[4-(difluoromethyl)phenyl]methyl]-N-ethylethanamine
SMILESCCN(CC)Cc1ccc(C(F)F)cc1
InChIInChI=1S/C12H17F2N/c1-3-15(4-2)9-10-5-7-11(8-6-10)12(13)14/h5-8,12H,3-4,9H2,1-2H3
InChIKeyZGDAIUSMXQWXFK-UHFFFAOYSA-N
MW213.27 g/mol
LogP3.47
Rot. Bonds5

About N-[[4-(difluoromethyl)phenyl]methyl]-N-ethylethanamine

N-[[4-(difluoromethyl)phenyl]methyl]-N-ethylethanamine (PubChem CID 85090262) has the molecular formula C12H17F2N and a molecular weight of 213.27 g/mol. Its IUPAC name is N-[[4-(difluoromethyl)phenyl]methyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[[4-(difluoromethyl)phenyl]methyl]-N-ethylethanamine
PubChem CID85090262
Molecular FormulaC12H17F2N
Molecular Weight213.27 g/mol
Exact Mass213.13
IUPAC NameN-[[4-(difluoromethyl)phenyl]methyl]-N-ethylethanamine
SMILESCCN(CC)Cc1ccc(C(F)F)cc1
InChIInChI=1S/C12H17F2N/c1-3-15(4-2)9-10-5-7-11(8-6-10)12(13)14/h5-8,12H,3-4,9H2,1-2H3
InChIKeyZGDAIUSMXQWXFK-UHFFFAOYSA-N
XLogP3.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.27
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethyl)phenyl]methyl]-N-ethylethanamine?
The IUPAC name of N-[[4-(difluoromethyl)phenyl]methyl]-N-ethylethanamine (CID 85090262) is N-[[4-(difluoromethyl)phenyl]methyl]-N-ethylethanamine.
What is the SMILES notation for N-[[4-(difluoromethyl)phenyl]methyl]-N-ethylethanamine?
The canonical SMILES for N-[[4-(difluoromethyl)phenyl]methyl]-N-ethylethanamine is CCN(CC)Cc1ccc(C(F)F)cc1.
What is the InChIKey of N-[[4-(difluoromethyl)phenyl]methyl]-N-ethylethanamine?
The InChIKey is ZGDAIUSMXQWXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N/c1-3-15(4-2)9-10-5-7-11(8-6-10)12(13)14/h5-8,12H,3-4,9H2,1-2H3.
What are the key properties of N-[[4-(difluoromethyl)phenyl]methyl]-N-ethylethanamine?
N-[[4-(difluoromethyl)phenyl]methyl]-N-ethylethanamine has a molecular weight of 213.27 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethyl)phenyl]methyl]-N-ethylethanamine is sourced from PubChem (CID 85090262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).