N-[2-(2,2-difluoroethoxy)ethyl]-2-methyl-1-phenylpropan-1-amine

C14H21F2NO — CID 102977075

IUPACN-[2-(2,2-difluoroethoxy)ethyl]-2-methyl-1-phenylpropan-1-amine
SMILESCC(C)C(NCCOCC(F)F)c1ccccc1
InChIInChI=1S/C14H21F2NO/c1-11(2)14(12-6-4-3-5-7-12)17-8-9-18-10-13(15)16/h3-7,11,13-14,17H,8-10H2,1-2H3
InChIKeyCUPGQLUYRLFVOC-UHFFFAOYSA-N
MW257.32 g/mol
LogP3.26
Rot. Bonds8

About N-[2-(2,2-difluoroethoxy)ethyl]-2-methyl-1-phenylpropan-1-amine

N-[2-(2,2-difluoroethoxy)ethyl]-2-methyl-1-phenylpropan-1-amine (PubChem CID 102977075) has the molecular formula C14H21F2NO and a molecular weight of 257.32 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxy)ethyl]-2-methyl-1-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)ethyl]-2-methyl-1-phenylpropan-1-amine
PubChem CID102977075
Molecular FormulaC14H21F2NO
Molecular Weight257.32 g/mol
Exact Mass257.16
IUPAC NameN-[2-(2,2-difluoroethoxy)ethyl]-2-methyl-1-phenylpropan-1-amine
SMILESCC(C)C(NCCOCC(F)F)c1ccccc1
InChIInChI=1S/C14H21F2NO/c1-11(2)14(12-6-4-3-5-7-12)17-8-9-18-10-13(15)16/h3-7,11,13-14,17H,8-10H2,1-2H3
InChIKeyCUPGQLUYRLFVOC-UHFFFAOYSA-N
XLogP3.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 53.26
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

(1R)-N-(2-methoxyethyl)-2-methyl-1-phenylpropan-1-amine
CID 93043964
methane;2-methyl-1-phenyl-N-(2-phenylethyl)propan-1-amine
CID 70638594
N-[2-(2,2-difluoroethoxy)ethyl]aniline
CID 82010381
2-(2,2-difluoroethoxy)-1-phenyl-N-propylpropan-1-amine
CID 82004553
N'-methyl-N-(2-methyl-1-phenylpropyl)-N'-propan-2-ylethane-1,2-diamine
CID 62636093
2-methyl-N-(2-methylsulfanylethyl)-1-phenylpropan-1-amine
CID 60697107
(1R)-2-methyl-N-(2-methylpropyl)-1-phenylpropan-1-amine
CID 93027510
3-[(2-methyl-1-phenylpropyl)amino]propanoic acid
CID 43234771
2-methyl-5-[(2-methyl-1-phenylpropyl)amino]pentan-1-ol
CID 113350165
N'-(2-methoxyethyl)-N'-methyl-N-(2-methyl-1-phenylpropyl)ethane-1,2-diamine
CID 62843081
2-methyl-1-phenyl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 43426280
1-(3-bromophenyl)-N-[2-(2,2-difluoroethoxy)ethyl]propan-1-amine
CID 103082647

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-2-methyl-1-phenylpropan-1-amine?
The IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-2-methyl-1-phenylpropan-1-amine (CID 102977075) is N-[2-(2,2-difluoroethoxy)ethyl]-2-methyl-1-phenylpropan-1-amine.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)ethyl]-2-methyl-1-phenylpropan-1-amine?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)ethyl]-2-methyl-1-phenylpropan-1-amine is CC(C)C(NCCOCC(F)F)c1ccccc1.
What is the InChIKey of N-[2-(2,2-difluoroethoxy)ethyl]-2-methyl-1-phenylpropan-1-amine?
The InChIKey is CUPGQLUYRLFVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO/c1-11(2)14(12-6-4-3-5-7-12)17-8-9-18-10-13(15)16/h3-7,11,13-14,17H,8-10H2,1-2H3.
What are the key properties of N-[2-(2,2-difluoroethoxy)ethyl]-2-methyl-1-phenylpropan-1-amine?
N-[2-(2,2-difluoroethoxy)ethyl]-2-methyl-1-phenylpropan-1-amine has a molecular weight of 257.32 g/mol, XLogP of 3.26, 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-difluoroethoxy)ethyl]-2-methyl-1-phenylpropan-1-amine is sourced from PubChem (CID 102977075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).