N-ethyl-2,2-difluoro-N-methyl-3-(4-methylpentoxy)propan-1-amine

C12H25F2NO — CID 142616017

IUPACN-ethyl-2,2-difluoro-N-methyl-3-(4-methylpentoxy)propan-1-amine
SMILESCCN(C)CC(F)(F)COCCCC(C)C
InChIInChI=1S/C12H25F2NO/c1-5-15(4)9-12(13,14)10-16-8-6-7-11(2)3/h11H,5-10H2,1-4H3
InChIKeyDJWCJURGMDCDKK-UHFFFAOYSA-N
MW237.33 g/mol
LogP3.03
Rot. Bonds9

About N-ethyl-2,2-difluoro-N-methyl-3-(4-methylpentoxy)propan-1-amine

N-ethyl-2,2-difluoro-N-methyl-3-(4-methylpentoxy)propan-1-amine (PubChem CID 142616017) has the molecular formula C12H25F2NO and a molecular weight of 237.33 g/mol. Its IUPAC name is N-ethyl-2,2-difluoro-N-methyl-3-(4-methylpentoxy)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2,2-difluoro-N-methyl-3-(4-methylpentoxy)propan-1-amine
PubChem CID142616017
Molecular FormulaC12H25F2NO
Molecular Weight237.33 g/mol
Exact Mass237.19
IUPAC NameN-ethyl-2,2-difluoro-N-methyl-3-(4-methylpentoxy)propan-1-amine
SMILESCCN(C)CC(F)(F)COCCCC(C)C
InChIInChI=1S/C12H25F2NO/c1-5-15(4)9-12(13,14)10-16-8-6-7-11(2)3/h11H,5-10H2,1-4H3
InChIKeyDJWCJURGMDCDKK-UHFFFAOYSA-N
XLogP3.03
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-difluoro-N-methyl-3-(4-methylpentoxy)propan-1-amine?
The IUPAC name of N-ethyl-2,2-difluoro-N-methyl-3-(4-methylpentoxy)propan-1-amine (CID 142616017) is N-ethyl-2,2-difluoro-N-methyl-3-(4-methylpentoxy)propan-1-amine.
What is the SMILES notation for N-ethyl-2,2-difluoro-N-methyl-3-(4-methylpentoxy)propan-1-amine?
The canonical SMILES for N-ethyl-2,2-difluoro-N-methyl-3-(4-methylpentoxy)propan-1-amine is CCN(C)CC(F)(F)COCCCC(C)C.
What is the InChIKey of N-ethyl-2,2-difluoro-N-methyl-3-(4-methylpentoxy)propan-1-amine?
The InChIKey is DJWCJURGMDCDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25F2NO/c1-5-15(4)9-12(13,14)10-16-8-6-7-11(2)3/h11H,5-10H2,1-4H3.
What are the key properties of N-ethyl-2,2-difluoro-N-methyl-3-(4-methylpentoxy)propan-1-amine?
N-ethyl-2,2-difluoro-N-methyl-3-(4-methylpentoxy)propan-1-amine has a molecular weight of 237.33 g/mol, XLogP of 3.03, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-difluoro-N-methyl-3-(4-methylpentoxy)propan-1-amine is sourced from PubChem (CID 142616017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).