N-(2-fluoroethyl)-2-methylpropan-1-amine

C6H14FN — CID 80699547

IUPACN-(2-fluoroethyl)-2-methylpropan-1-amine
SMILESCC(C)CNCCF
InChIInChI=1S/C6H14FN/c1-6(2)5-8-4-3-7/h6,8H,3-5H2,1-2H3
InChIKeyRTNURGSWVFDNJG-UHFFFAOYSA-N
MW119.18 g/mol
LogP1.20
Rot. Bonds4

About N-(2-fluoroethyl)-2-methylpropan-1-amine

N-(2-fluoroethyl)-2-methylpropan-1-amine (PubChem CID 80699547) has the molecular formula C6H14FN and a molecular weight of 119.18 g/mol. Its IUPAC name is N-(2-fluoroethyl)-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-2-methylpropan-1-amine
PubChem CID80699547
Molecular FormulaC6H14FN
Molecular Weight119.18 g/mol
Exact Mass119.11
IUPAC NameN-(2-fluoroethyl)-2-methylpropan-1-amine
SMILESCC(C)CNCCF
InChIInChI=1S/C6H14FN/c1-6(2)5-8-4-3-7/h6,8H,3-5H2,1-2H3
InChIKeyRTNURGSWVFDNJG-UHFFFAOYSA-N
XLogP1.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.18
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-N-(2-fluoroethyl)-2-N-methylpropane-1,2-diamine
CID 130504617
N-(2-fluoroethyl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102905569
N,N'-bis[2-(2-methylpropylamino)ethyl]ethane-1,2-diamine
CID 54452976
N-(2-fluoroethyl)-2-methoxypropan-1-amine
CID 102698074
CID 175939227
CID 175939227
2-methyl-N-propylpropan-1-amine
CID 520943
(2S)-3-(2-fluoroethylamino)-2-methylpropanenitrile
CID 147358419
N-(2-fluoroethyl)-4-methylpentan-1-amine
CID 80695827
2-methyl-N-(2-methylpropyl)propan-1-amine;hydrochloride
CID 519535
N-(2-methylpropyl)-N',N'-bis[2-(2-methylpropylamino)ethyl]ethane-1,2-diamine
CID 101082542
4-methyl-N-(2-methylpropyl)pentan-1-amine
CID 54104955
N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 55209612

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-2-methylpropan-1-amine?
The IUPAC name of N-(2-fluoroethyl)-2-methylpropan-1-amine (CID 80699547) is N-(2-fluoroethyl)-2-methylpropan-1-amine.
What is the SMILES notation for N-(2-fluoroethyl)-2-methylpropan-1-amine?
The canonical SMILES for N-(2-fluoroethyl)-2-methylpropan-1-amine is CC(C)CNCCF.
What is the InChIKey of N-(2-fluoroethyl)-2-methylpropan-1-amine?
The InChIKey is RTNURGSWVFDNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14FN/c1-6(2)5-8-4-3-7/h6,8H,3-5H2,1-2H3.
What are the key properties of N-(2-fluoroethyl)-2-methylpropan-1-amine?
N-(2-fluoroethyl)-2-methylpropan-1-amine has a molecular weight of 119.18 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-2-methylpropan-1-amine is sourced from PubChem (CID 80699547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).