N-(2-fluoroethyl)-1-methoxy-3-methylbutan-2-amine

C8H18FNO — CID 80694202

IUPACN-(2-fluoroethyl)-1-methoxy-3-methylbutan-2-amine
SMILESCOCC(NCCF)C(C)C
InChIInChI=1S/C8H18FNO/c1-7(2)8(6-11-3)10-5-4-9/h7-8,10H,4-6H2,1-3H3
InChIKeyHGFBCPAFJMMQJJ-UHFFFAOYSA-N
MW163.24 g/mol
LogP1.22
Rot. Bonds6

About N-(2-fluoroethyl)-1-methoxy-3-methylbutan-2-amine

N-(2-fluoroethyl)-1-methoxy-3-methylbutan-2-amine (PubChem CID 80694202) has the molecular formula C8H18FNO and a molecular weight of 163.24 g/mol. Its IUPAC name is N-(2-fluoroethyl)-1-methoxy-3-methylbutan-2-amine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-1-methoxy-3-methylbutan-2-amine
PubChem CID80694202
Molecular FormulaC8H18FNO
Molecular Weight163.24 g/mol
Exact Mass163.14
IUPAC NameN-(2-fluoroethyl)-1-methoxy-3-methylbutan-2-amine
SMILESCOCC(NCCF)C(C)C
InChIInChI=1S/C8H18FNO/c1-7(2)8(6-11-3)10-5-4-9/h7-8,10H,4-6H2,1-3H3
InChIKeyHGFBCPAFJMMQJJ-UHFFFAOYSA-N
XLogP1.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,2-difluoroethoxy)ethyl]-1-methoxy-3-methylbutan-2-amine
CID 102978065
N-(1-methoxy-3-methylbutan-2-yl)nonan-1-amine
CID 65049550
N-(1-methoxy-3-methylbutan-2-yl)-5-methylhexan-1-amine
CID 81339100
1-methoxy-3-methyl-N-pent-4-enylbutan-2-amine
CID 65049227
3-[(1-methoxy-3-methylbutan-2-yl)amino]-N-methylpropanamide
CID 65048928
N-(2-fluoroethyl)-4-methoxybutan-2-amine
CID 80695684
1-methoxy-3-methyl-N-prop-2-ynylbutan-2-amine
CID 65047566
N'-ethyl-N-(1-methoxy-3-methylbutan-2-yl)-N'-propylethane-1,2-diamine
CID 115726254
3-[2-[(1-methoxy-3-methylbutan-2-yl)amino]ethyl]-1,1-dimethylurea
CID 83116380
N-(1-methoxy-3-methylbutan-2-yl)-3,3-dimethylbutan-2-amine
CID 115719163
N-[2-(cyclopropylmethylsulfanyl)ethyl]-1-methoxy-3-methylbutan-2-amine
CID 115729284
1-methoxy-3-methyl-N-(2-pyridin-4-ylethyl)butan-2-amine
CID 65049563

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-1-methoxy-3-methylbutan-2-amine?
The IUPAC name of N-(2-fluoroethyl)-1-methoxy-3-methylbutan-2-amine (CID 80694202) is N-(2-fluoroethyl)-1-methoxy-3-methylbutan-2-amine.
What is the SMILES notation for N-(2-fluoroethyl)-1-methoxy-3-methylbutan-2-amine?
The canonical SMILES for N-(2-fluoroethyl)-1-methoxy-3-methylbutan-2-amine is COCC(NCCF)C(C)C.
What is the InChIKey of N-(2-fluoroethyl)-1-methoxy-3-methylbutan-2-amine?
The InChIKey is HGFBCPAFJMMQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18FNO/c1-7(2)8(6-11-3)10-5-4-9/h7-8,10H,4-6H2,1-3H3.
What are the key properties of N-(2-fluoroethyl)-1-methoxy-3-methylbutan-2-amine?
N-(2-fluoroethyl)-1-methoxy-3-methylbutan-2-amine has a molecular weight of 163.24 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-1-methoxy-3-methylbutan-2-amine is sourced from PubChem (CID 80694202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).