N-(2-ethoxyethyl)-1-fluoropropan-2-amine

C7H16FNO — CID 123978923

IUPACN-(2-ethoxyethyl)-1-fluoropropan-2-amine
SMILESCCOCCNC(C)CF
InChIInChI=1S/C7H16FNO/c1-3-10-5-4-9-7(2)6-8/h7,9H,3-6H2,1-2H3
InChIKeyHIRGKGQEKITLCO-UHFFFAOYSA-N
MW149.21 g/mol
LogP0.97
Rot. Bonds6

About N-(2-ethoxyethyl)-1-fluoropropan-2-amine

N-(2-ethoxyethyl)-1-fluoropropan-2-amine (PubChem CID 123978923) has the molecular formula C7H16FNO and a molecular weight of 149.21 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-1-fluoropropan-2-amine.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-1-fluoropropan-2-amine
PubChem CID123978923
Molecular FormulaC7H16FNO
Molecular Weight149.21 g/mol
Exact Mass149.12
IUPAC NameN-(2-ethoxyethyl)-1-fluoropropan-2-amine
SMILESCCOCCNC(C)CF
InChIInChI=1S/C7H16FNO/c1-3-10-5-4-9-7(2)6-8/h7,9H,3-6H2,1-2H3
InChIKeyHIRGKGQEKITLCO-UHFFFAOYSA-N
XLogP0.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.21
LogP ≤ 50.97
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

2-Propanamine, N,N'-(oxydi-2,1-ethanediyl)bis-
CID 469935
3,5-Dimethylmorpholine
CID 8862
3-Methylmorpholine
CID 292103
(3S)-3-methylmorpholine
CID 12012220
N-(2-Methoxyethyl)isopropylamine
CID 551575
(3R,5S)-3,5-Dimethylmorpholine
CID 12638209
(R)-3-Methylmorpholine
CID 641498
Butan-2-yl(2-methoxyethyl)amine
CID 43190188
3-(Fluoromethyl)morpholine hydrochloride
CID 22342647
(2-(2-Aminoethoxy)ethyl)(propan-2-yl)amine
CID 23390375
(2-Methoxyethyl)(pentan-3-yl)amine
CID 28426026
(3R)-3-fluoromethylmorpholine
CID 54445403

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-1-fluoropropan-2-amine?
The IUPAC name of N-(2-ethoxyethyl)-1-fluoropropan-2-amine (CID 123978923) is N-(2-ethoxyethyl)-1-fluoropropan-2-amine.
What is the SMILES notation for N-(2-ethoxyethyl)-1-fluoropropan-2-amine?
The canonical SMILES for N-(2-ethoxyethyl)-1-fluoropropan-2-amine is CCOCCNC(C)CF.
What is the InChIKey of N-(2-ethoxyethyl)-1-fluoropropan-2-amine?
The InChIKey is HIRGKGQEKITLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16FNO/c1-3-10-5-4-9-7(2)6-8/h7,9H,3-6H2,1-2H3.
What are the key properties of N-(2-ethoxyethyl)-1-fluoropropan-2-amine?
N-(2-ethoxyethyl)-1-fluoropropan-2-amine has a molecular weight of 149.21 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-1-fluoropropan-2-amine is sourced from PubChem (CID 123978923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).