ethane;N-(fluoromethyl)-N-methylethanamine;2-methylpropane

C14H38FN — CID 145053451

IUPACethane;N-(fluoromethyl)-N-methylethanamine;2-methylpropane
SMILESCC.CC.CC.CC(C)C.CCN(C)CF
InChIInChI=1S/C4H10FN.C4H10.3C2H6/c1-3-6(2)4-5;1-4(2)3;3*1-2/h3-4H2,1-2H3;4H,1-3H3;3*1-2H3
InChIKeyJLKSSFYQHXKSSI-UHFFFAOYSA-N
MW239.46 g/mol
LogP5.61
Rot. Bonds2

About ethane;N-(fluoromethyl)-N-methylethanamine;2-methylpropane

ethane;N-(fluoromethyl)-N-methylethanamine;2-methylpropane (PubChem CID 145053451) has the molecular formula C14H38FN and a molecular weight of 239.46 g/mol. Its IUPAC name is ethane;N-(fluoromethyl)-N-methylethanamine;2-methylpropane.

Molecular Properties

Compound Nameethane;N-(fluoromethyl)-N-methylethanamine;2-methylpropane
PubChem CID145053451
Molecular FormulaC14H38FN
Molecular Weight239.46 g/mol
Exact Mass239.30
IUPAC Nameethane;N-(fluoromethyl)-N-methylethanamine;2-methylpropane
SMILESCC.CC.CC.CC(C)C.CCN(C)CF
InChIInChI=1S/C4H10FN.C4H10.3C2H6/c1-3-6(2)4-5;1-4(2)3;3*1-2/h3-4H2,1-2H3;4H,1-3H3;3*1-2H3
InChIKeyJLKSSFYQHXKSSI-UHFFFAOYSA-N
XLogP5.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500239.46
LogP ≤ 55.61
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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Related Compounds

N,N-dibutyl-1-fluoro-2-methylpropan-1-amine
CID 20735606
N,N-diethyl-1-fluoro-2-methylpropan-1-amine
CID 21200869
4-fluoro-N-methyl-N-(2-methylpropyl)butan-1-amine
CID 126593992
N,N-bis(2-fluoroethyl)-2-methylpropan-1-amine
CID 126657385
N-(3-fluoropropyl)-N,2-dimethylpropan-1-amine
CID 130726687
1-fluoro-2-methyl-N,N-bis(2-methylpropyl)propan-1-amine
CID 139722182
N-ethyl-4-fluoro-N-(2-methylpropyl)butan-1-amine
CID 145404579
N-ethyl-N-[(2R)-2-fluoropropyl]-2-methylpropan-1-amine
CID 166137382
2-fluoro-N,2-dimethyl-N-(2-methylpropyl)propan-1-amine
CID 169914332
2-fluoro-N-methyl-N-(2-methylpropyl)butan-1-amine
CID 177005712
N-(2-fluoropropyl)-N,2-dimethylpropan-1-amine
CID 177032219
Ethyl(2-fluoroethyl)(2-methylpropyl)amine
CID 130666965

Frequently Asked Questions

What is the IUPAC name of ethane;N-(fluoromethyl)-N-methylethanamine;2-methylpropane?
The IUPAC name of ethane;N-(fluoromethyl)-N-methylethanamine;2-methylpropane (CID 145053451) is ethane;N-(fluoromethyl)-N-methylethanamine;2-methylpropane.
What is the SMILES notation for ethane;N-(fluoromethyl)-N-methylethanamine;2-methylpropane?
The canonical SMILES for ethane;N-(fluoromethyl)-N-methylethanamine;2-methylpropane is CC.CC.CC.CC(C)C.CCN(C)CF.
What is the InChIKey of ethane;N-(fluoromethyl)-N-methylethanamine;2-methylpropane?
The InChIKey is JLKSSFYQHXKSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10FN.C4H10.3C2H6/c1-3-6(2)4-5;1-4(2)3;3*1-2/h3-4H2,1-2H3;4H,1-3H3;3*1-2H3.
What are the key properties of ethane;N-(fluoromethyl)-N-methylethanamine;2-methylpropane?
ethane;N-(fluoromethyl)-N-methylethanamine;2-methylpropane has a molecular weight of 239.46 g/mol, XLogP of 5.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(fluoromethyl)-N-methylethanamine;2-methylpropane is sourced from PubChem (CID 145053451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).