N-(2-fluoroethyl)-4-methoxybutan-2-amine

C7H16FNO — CID 80695684

IUPACN-(2-fluoroethyl)-4-methoxybutan-2-amine
SMILESCOCCC(C)NCCF
InChIInChI=1S/C7H16FNO/c1-7(3-6-10-2)9-5-4-8/h7,9H,3-6H2,1-2H3
InChIKeyABBFXMNIZCDJIH-UHFFFAOYSA-N
MW149.21 g/mol
LogP0.97
Rot. Bonds6

About N-(2-fluoroethyl)-4-methoxybutan-2-amine

N-(2-fluoroethyl)-4-methoxybutan-2-amine (PubChem CID 80695684) has the molecular formula C7H16FNO and a molecular weight of 149.21 g/mol. Its IUPAC name is N-(2-fluoroethyl)-4-methoxybutan-2-amine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-4-methoxybutan-2-amine
PubChem CID80695684
Molecular FormulaC7H16FNO
Molecular Weight149.21 g/mol
Exact Mass149.12
IUPAC NameN-(2-fluoroethyl)-4-methoxybutan-2-amine
SMILESCOCCC(C)NCCF
InChIInChI=1S/C7H16FNO/c1-7(3-6-10-2)9-5-4-8/h7,9H,3-6H2,1-2H3
InChIKeyABBFXMNIZCDJIH-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

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Related Compounds

6-(4-methoxybutan-2-ylamino)hexan-3-ol
CID 115891785
3-ethoxy-N-(4-methoxybutan-2-yl)-4-methylpentan-1-amine
CID 115688418
N-(4-methoxybutan-2-yl)pent-4-en-1-amine
CID 64603427
5-iodo-N-(4-methoxybutan-2-yl)pentan-1-amine
CID 107320059
5-(4-methoxybutan-2-ylamino)-2-methylpentan-1-ol
CID 103905392
N-(3-cyclopropylpropyl)-4-methoxybutan-2-amine
CID 115688384
(2R)-N-(2-fluoroethyl)heptan-2-amine
CID 124512751
N-(4-methoxybutan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904402
N-(2-fluoroethyl)-1-methoxy-3-methylbutan-2-amine
CID 80694202
N-(2-but-3-enoxyethyl)-4-methoxybutan-2-amine
CID 103852873
N',N'-diethyl-N-(4-methoxybutan-2-yl)butane-1,4-diamine
CID 115714050
N-(3-methoxypropyl)-5-methylhexan-2-amine
CID 43205131

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-4-methoxybutan-2-amine?
The IUPAC name of N-(2-fluoroethyl)-4-methoxybutan-2-amine (CID 80695684) is N-(2-fluoroethyl)-4-methoxybutan-2-amine.
What is the SMILES notation for N-(2-fluoroethyl)-4-methoxybutan-2-amine?
The canonical SMILES for N-(2-fluoroethyl)-4-methoxybutan-2-amine is COCCC(C)NCCF.
What is the InChIKey of N-(2-fluoroethyl)-4-methoxybutan-2-amine?
The InChIKey is ABBFXMNIZCDJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16FNO/c1-7(3-6-10-2)9-5-4-8/h7,9H,3-6H2,1-2H3.
What are the key properties of N-(2-fluoroethyl)-4-methoxybutan-2-amine?
N-(2-fluoroethyl)-4-methoxybutan-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-fluoroethyl)-4-methoxybutan-2-amine is sourced from PubChem (CID 80695684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).