1-fluoro-3-methoxy-N-propan-2-ylpropan-2-amine

C7H16FNO — CID 83815311

IUPAC1-fluoro-3-methoxy-N-propan-2-ylpropan-2-amine
SMILESCOCC(CF)NC(C)C
InChIInChI=1S/C7H16FNO/c1-6(2)9-7(4-8)5-10-3/h6-7,9H,4-5H2,1-3H3
InChIKeyQGOWLSSLOFWORT-UHFFFAOYSA-N
MW149.21 g/mol
LogP0.97
Rot. Bonds5

About 1-fluoro-3-methoxy-N-propan-2-ylpropan-2-amine

1-fluoro-3-methoxy-N-propan-2-ylpropan-2-amine (PubChem CID 83815311) has the molecular formula C7H16FNO and a molecular weight of 149.21 g/mol. Its IUPAC name is 1-fluoro-3-methoxy-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound Name1-fluoro-3-methoxy-N-propan-2-ylpropan-2-amine
PubChem CID83815311
Molecular FormulaC7H16FNO
Molecular Weight149.21 g/mol
Exact Mass149.12
IUPAC Name1-fluoro-3-methoxy-N-propan-2-ylpropan-2-amine
SMILESCOCC(CF)NC(C)C
InChIInChI=1S/C7H16FNO/c1-6(2)9-7(4-8)5-10-3/h6-7,9H,4-5H2,1-3H3
InChIKeyQGOWLSSLOFWORT-UHFFFAOYSA-N
XLogP0.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

1,3-dimethoxy-N-propan-2-ylpropan-2-amine
CID 134479894
(2S)-3-methoxy-2-(propan-2-ylamino)propan-1-ol
CID 130685651
1-methoxy-N-propan-2-yl-3-propan-2-yloxypropan-2-amine
CID 176738285
(2S)-1-fluoro-4-methyl-N-propan-2-ylpentan-2-amine
CID 168776227
2-(2-fluoroethoxy)-1-methoxypropane
CID 175717335
1,3-dimethoxy-N-methylpropan-2-amine;ethane
CID 171819113
(2S)-1-(18F)fluoro-3-methoxypropan-2-ol
CID 122413426
1-fluoro-3-methoxypropan-2-ol
CID 53422469
N-(2-fluoroethyl)-1-methoxy-3-methylbutan-2-amine
CID 80694202
tert-butyl N-[5-methoxy-4-(propan-2-ylamino)pentyl]carbamate
CID 103386966
1-methoxy-N,4-dimethylpentan-2-amine
CID 13140129
3-methoxy-1-(propan-2-ylamino)propan-1-ol
CID 138550346

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-methoxy-N-propan-2-ylpropan-2-amine?
The IUPAC name of 1-fluoro-3-methoxy-N-propan-2-ylpropan-2-amine (CID 83815311) is 1-fluoro-3-methoxy-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for 1-fluoro-3-methoxy-N-propan-2-ylpropan-2-amine?
The canonical SMILES for 1-fluoro-3-methoxy-N-propan-2-ylpropan-2-amine is COCC(CF)NC(C)C.
What is the InChIKey of 1-fluoro-3-methoxy-N-propan-2-ylpropan-2-amine?
The InChIKey is QGOWLSSLOFWORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16FNO/c1-6(2)9-7(4-8)5-10-3/h6-7,9H,4-5H2,1-3H3.
What are the key properties of 1-fluoro-3-methoxy-N-propan-2-ylpropan-2-amine?
1-fluoro-3-methoxy-N-propan-2-ylpropan-2-amine has a molecular weight of 149.21 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-methoxy-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 83815311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).