5-fluoro-N-[(2R)-1-methoxypropan-2-yl]-2-methylaniline

C11H16FNO — CID 94473006

IUPAC5-fluoro-N-[(2R)-1-methoxypropan-2-yl]-2-methylaniline
SMILESCOC[C@@H](C)Nc1cc(F)ccc1C
InChIInChI=1S/C11H16FNO/c1-8-4-5-10(12)6-11(8)13-9(2)7-14-3/h4-6,9,13H,7H2,1-3H3/t9-/m1/s1
InChIKeyRQVMQRLAZBXRRD-SECBINFHSA-N
MW197.25 g/mol
LogP2.58
Rot. Bonds4

About 5-fluoro-N-[(2R)-1-methoxypropan-2-yl]-2-methylaniline

5-fluoro-N-[(2R)-1-methoxypropan-2-yl]-2-methylaniline (PubChem CID 94473006) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 5-fluoro-N-[(2R)-1-methoxypropan-2-yl]-2-methylaniline.

Molecular Properties

Compound Name5-fluoro-N-[(2R)-1-methoxypropan-2-yl]-2-methylaniline
PubChem CID94473006
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name5-fluoro-N-[(2R)-1-methoxypropan-2-yl]-2-methylaniline
SMILESCOC[C@@H](C)Nc1cc(F)ccc1C
InChIInChI=1S/C11H16FNO/c1-8-4-5-10(12)6-11(8)13-9(2)7-14-3/h4-6,9,13H,7H2,1-3H3/t9-/m1/s1
InChIKeyRQVMQRLAZBXRRD-SECBINFHSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-(1-methoxypropan-2-yl)-2-methylaniline
CID 62534108
5-chloro-N-(1-methoxypropan-2-yl)-2-methylaniline;hydrochloride
CID 126809410
3-[[(2S)-1-methoxypropan-2-yl]amino]-4-methylbenzonitrile
CID 94474811
3-(5-fluoro-2-methylanilino)butanenitrile
CID 60912790
3-(1-methoxypropan-2-ylamino)-4-methylbenzenesulfonamide
CID 62536999
methyl 5-fluoro-2-(1-methoxypropan-2-ylamino)benzoate
CID 62536813
4,5-dimethoxy-N-(1-methoxypropan-2-yl)-2-methylaniline
CID 55086474
4-[2-(5-fluoro-2-methylanilino)propyl]phenol
CID 115493921
4-fluoro-N-(1-methoxypropan-2-yl)-2-(trifluoromethylsulfonyl)aniline
CID 62891619
3-N-(4-methoxybutan-2-yl)-4-methylbenzene-1,3-diamine
CID 64600487
3-(1-methoxypropan-2-ylamino)-2,6-dimethylphenol
CID 62536428
5-fluoro-N-[1-(furan-2-yl)propan-2-yl]-2-methylaniline
CID 63099917

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(2R)-1-methoxypropan-2-yl]-2-methylaniline?
The IUPAC name of 5-fluoro-N-[(2R)-1-methoxypropan-2-yl]-2-methylaniline (CID 94473006) is 5-fluoro-N-[(2R)-1-methoxypropan-2-yl]-2-methylaniline.
What is the SMILES notation for 5-fluoro-N-[(2R)-1-methoxypropan-2-yl]-2-methylaniline?
The canonical SMILES for 5-fluoro-N-[(2R)-1-methoxypropan-2-yl]-2-methylaniline is COC[C@@H](C)Nc1cc(F)ccc1C.
What is the InChIKey of 5-fluoro-N-[(2R)-1-methoxypropan-2-yl]-2-methylaniline?
The InChIKey is RQVMQRLAZBXRRD-SECBINFHSA-N. The full InChI is InChI=1S/C11H16FNO/c1-8-4-5-10(12)6-11(8)13-9(2)7-14-3/h4-6,9,13H,7H2,1-3H3/t9-/m1/s1.
What are the key properties of 5-fluoro-N-[(2R)-1-methoxypropan-2-yl]-2-methylaniline?
5-fluoro-N-[(2R)-1-methoxypropan-2-yl]-2-methylaniline has a molecular weight of 197.25 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(2R)-1-methoxypropan-2-yl]-2-methylaniline is sourced from PubChem (CID 94473006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).