1-(2-fluoro-3-methylanilino)-2-methylpropan-2-ol

C11H16FNO — CID 130497270

IUPAC1-(2-fluoro-3-methylanilino)-2-methylpropan-2-ol
SMILESCc1cccc(NCC(C)(C)O)c1F
InChIInChI=1S/C11H16FNO/c1-8-5-4-6-9(10(8)12)13-7-11(2,3)14/h4-6,13-14H,7H2,1-3H3
InChIKeyXTOIZQPKHBAEEO-UHFFFAOYSA-N
MW197.25 g/mol
LogP2.32
Rot. Bonds3

About 1-(2-fluoro-3-methylanilino)-2-methylpropan-2-ol

1-(2-fluoro-3-methylanilino)-2-methylpropan-2-ol (PubChem CID 130497270) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 1-(2-fluoro-3-methylanilino)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(2-fluoro-3-methylanilino)-2-methylpropan-2-ol
PubChem CID130497270
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name1-(2-fluoro-3-methylanilino)-2-methylpropan-2-ol
SMILESCc1cccc(NCC(C)(C)O)c1F
InChIInChI=1S/C11H16FNO/c1-8-5-4-6-9(10(8)12)13-7-11(2,3)14/h4-6,13-14H,7H2,1-3H3
InChIKeyXTOIZQPKHBAEEO-UHFFFAOYSA-N
XLogP2.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(naphthalen-1-ylamino)propan-2-ol
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N'-(2-fluoro-3-methylphenyl)ethane-1,2-diamine
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N-[(4-bromophenyl)methyl]-2-fluoro-3-methylaniline
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N-(cyclopropylmethyl)-2-fluoro-3-methylaniline
CID 130165755
N-[(2,3-dimethylphenyl)methyl]-2-fluoro-3-methylaniline
CID 114254476
2-fluoro-N,3-dimethylaniline
CID 50998713
2-(2-fluoro-3-methylanilino)-1-morpholin-4-ylethanone
CID 113352413
1-(2-amino-3-chloroanilino)-2-methylpropan-2-ol
CID 104834636
(2-fluoro-3-methylphenyl)hydrazine
CID 55280946
1-(2-fluoro-3-methylphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 114254796
1-(2-amino-4-fluoro-5-methylanilino)-2-methylpropan-2-ol
CID 103590481
2-fluoro-3-methyl-N-(pyridin-4-ylmethyl)aniline
CID 115904322

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methylanilino)-2-methylpropan-2-ol?
The IUPAC name of 1-(2-fluoro-3-methylanilino)-2-methylpropan-2-ol (CID 130497270) is 1-(2-fluoro-3-methylanilino)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(2-fluoro-3-methylanilino)-2-methylpropan-2-ol?
The canonical SMILES for 1-(2-fluoro-3-methylanilino)-2-methylpropan-2-ol is Cc1cccc(NCC(C)(C)O)c1F.
What is the InChIKey of 1-(2-fluoro-3-methylanilino)-2-methylpropan-2-ol?
The InChIKey is XTOIZQPKHBAEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-8-5-4-6-9(10(8)12)13-7-11(2,3)14/h4-6,13-14H,7H2,1-3H3.
What are the key properties of 1-(2-fluoro-3-methylanilino)-2-methylpropan-2-ol?
1-(2-fluoro-3-methylanilino)-2-methylpropan-2-ol has a molecular weight of 197.25 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-methylanilino)-2-methylpropan-2-ol is sourced from PubChem (CID 130497270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).