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

C6H14FNO — CID 102698074

IUPACN-(2-fluoroethyl)-2-methoxypropan-1-amine
SMILESCOC(C)CNCCF
InChIInChI=1S/C6H14FNO/c1-6(9-2)5-8-4-3-7/h6,8H,3-5H2,1-2H3
InChIKeySTZSWAMQIMLTPJ-UHFFFAOYSA-N
MW135.18 g/mol
LogP0.58
Rot. Bonds5

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

N-(2-fluoroethyl)-2-methoxypropan-1-amine (PubChem CID 102698074) has the molecular formula C6H14FNO and a molecular weight of 135.18 g/mol. Its IUPAC name is N-(2-fluoroethyl)-2-methoxypropan-1-amine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-2-methoxypropan-1-amine
PubChem CID102698074
Molecular FormulaC6H14FNO
Molecular Weight135.18 g/mol
Exact Mass135.11
IUPAC NameN-(2-fluoroethyl)-2-methoxypropan-1-amine
SMILESCOC(C)CNCCF
InChIInChI=1S/C6H14FNO/c1-6(9-2)5-8-4-3-7/h6,8H,3-5H2,1-2H3
InChIKeySTZSWAMQIMLTPJ-UHFFFAOYSA-N
XLogP0.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.18
LogP ≤ 50.58
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

N-(2-fluoroethyl)-2-methylpropan-1-amine
CID 80699547
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
6-chloro-N-(2-methoxypropyl)hexan-1-amine
CID 107845800
N-(3-ethoxypropyl)-2-methoxypropan-1-amine
CID 62565576
2-(2-methoxypropylamino)acetonitrile
CID 102697955
2-methoxy-N'-(2-methoxypropyl)propane-1,3-diamine
CID 106115064
methyl 3-(2-fluoroethylamino)-2-iodopropanoate
CID 103491977
N-(cyclopropylmethyl)-2-methoxypropan-1-amine
CID 91623791
(2S)-3-(2-fluoroethylamino)-2-methylpropanenitrile
CID 147358419
N-(2,2-diethoxyethyl)-2-methoxypropan-1-amine
CID 102697934
N'-(2-methoxypropyl)-1-phenylpropane-1,3-diamine
CID 102698624

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-2-methoxypropan-1-amine?
The IUPAC name of N-(2-fluoroethyl)-2-methoxypropan-1-amine (CID 102698074) is N-(2-fluoroethyl)-2-methoxypropan-1-amine.
What is the SMILES notation for N-(2-fluoroethyl)-2-methoxypropan-1-amine?
The canonical SMILES for N-(2-fluoroethyl)-2-methoxypropan-1-amine is COC(C)CNCCF.
What is the InChIKey of N-(2-fluoroethyl)-2-methoxypropan-1-amine?
The InChIKey is STZSWAMQIMLTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14FNO/c1-6(9-2)5-8-4-3-7/h6,8H,3-5H2,1-2H3.
What are the key properties of N-(2-fluoroethyl)-2-methoxypropan-1-amine?
N-(2-fluoroethyl)-2-methoxypropan-1-amine has a molecular weight of 135.18 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-2-methoxypropan-1-amine is sourced from PubChem (CID 102698074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).