1-fluoro-2-methyl-N,N-bis(2-methylpropyl)propan-1-amine

C12H26FN — CID 139722182

IUPAC1-fluoro-2-methyl-N,N-bis(2-methylpropyl)propan-1-amine
SMILESCC(C)CN(CC(C)C)C(F)C(C)C
InChIInChI=1S/C12H26FN/c1-9(2)7-14(8-10(3)4)12(13)11(5)6/h9-12H,7-8H2,1-6H3
InChIKeyOURRVEMKRWSNJE-UHFFFAOYSA-N
MW203.34 g/mol
LogP3.55
Rot. Bonds6

About 1-fluoro-2-methyl-N,N-bis(2-methylpropyl)propan-1-amine

1-fluoro-2-methyl-N,N-bis(2-methylpropyl)propan-1-amine (PubChem CID 139722182) has the molecular formula C12H26FN and a molecular weight of 203.34 g/mol. Its IUPAC name is 1-fluoro-2-methyl-N,N-bis(2-methylpropyl)propan-1-amine.

Molecular Properties

Compound Name1-fluoro-2-methyl-N,N-bis(2-methylpropyl)propan-1-amine
PubChem CID139722182
Molecular FormulaC12H26FN
Molecular Weight203.34 g/mol
Exact Mass203.20
IUPAC Name1-fluoro-2-methyl-N,N-bis(2-methylpropyl)propan-1-amine
SMILESCC(C)CN(CC(C)C)C(F)C(C)C
InChIInChI=1S/C12H26FN/c1-9(2)7-14(8-10(3)4)12(13)11(5)6/h9-12H,7-8H2,1-6H3
InChIKeyOURRVEMKRWSNJE-UHFFFAOYSA-N
XLogP3.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.34
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-methyl-N,N-bis(2-methylpropyl)propan-1-amine?
The IUPAC name of 1-fluoro-2-methyl-N,N-bis(2-methylpropyl)propan-1-amine (CID 139722182) is 1-fluoro-2-methyl-N,N-bis(2-methylpropyl)propan-1-amine.
What is the SMILES notation for 1-fluoro-2-methyl-N,N-bis(2-methylpropyl)propan-1-amine?
The canonical SMILES for 1-fluoro-2-methyl-N,N-bis(2-methylpropyl)propan-1-amine is CC(C)CN(CC(C)C)C(F)C(C)C.
What is the InChIKey of 1-fluoro-2-methyl-N,N-bis(2-methylpropyl)propan-1-amine?
The InChIKey is OURRVEMKRWSNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26FN/c1-9(2)7-14(8-10(3)4)12(13)11(5)6/h9-12H,7-8H2,1-6H3.
What are the key properties of 1-fluoro-2-methyl-N,N-bis(2-methylpropyl)propan-1-amine?
1-fluoro-2-methyl-N,N-bis(2-methylpropyl)propan-1-amine has a molecular weight of 203.34 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-methyl-N,N-bis(2-methylpropyl)propan-1-amine is sourced from PubChem (CID 139722182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).