2-(3-fluoro-N-methylanilino)-3-methylbutan-1-ol

C12H18FNO — CID 115137475

IUPAC2-(3-fluoro-N-methylanilino)-3-methylbutan-1-ol
SMILESCC(C)C(CO)N(C)c1cccc(F)c1
InChIInChI=1S/C12H18FNO/c1-9(2)12(8-15)14(3)11-6-4-5-10(13)7-11/h4-7,9,12,15H,8H2,1-3H3
InChIKeyUPOVORIFZMAPRW-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.28
Rot. Bonds4

About 2-(3-fluoro-N-methylanilino)-3-methylbutan-1-ol

2-(3-fluoro-N-methylanilino)-3-methylbutan-1-ol (PubChem CID 115137475) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 2-(3-fluoro-N-methylanilino)-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-(3-fluoro-N-methylanilino)-3-methylbutan-1-ol
PubChem CID115137475
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name2-(3-fluoro-N-methylanilino)-3-methylbutan-1-ol
SMILESCC(C)C(CO)N(C)c1cccc(F)c1
InChIInChI=1S/C12H18FNO/c1-9(2)12(8-15)14(3)11-6-4-5-10(13)7-11/h4-7,9,12,15H,8H2,1-3H3
InChIKeyUPOVORIFZMAPRW-UHFFFAOYSA-N
XLogP2.28
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(3-fluoro-N-methylanilino)ethyl]phenol
CID 82978399
3-fluoro-N,N-dimethylaniline;methane
CID 157466440
N-[4-(2-aminopropyl)phenyl]-3-fluoro-N-methylaniline
CID 63817401
(1R)-1-[2-(3-fluoro-N-methylanilino)phenyl]ethanol
CID 55184502
1-(3-fluorophenyl)-1-methylhydrazine
CID 53400268
[3-fluoro-2-(3-fluoro-N-methylanilino)-4-pyridinyl]methanol
CID 105383032
3-(N-ethyl-3-fluoroanilino)-2-methyl-2-(propan-2-ylamino)propan-1-ol
CID 64827300
2-[2-(2,5-difluorophenyl)ethyl-methylamino]-3-methylbutan-1-ol
CID 115137787
2-N-(3-fluorophenyl)-2-N,4,4-trimethylpentane-1,2-diamine
CID 62950234
N-(chloromethyl)-3-fluoro-N-methylaniline
CID 115262926
3-(N-ethyl-3-fluoroanilino)butan-2-ol
CID 78977221
N-(3-fluorophenyl)-N-methyl-2-sulfanylpropanamide
CID 107027780

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-N-methylanilino)-3-methylbutan-1-ol?
The IUPAC name of 2-(3-fluoro-N-methylanilino)-3-methylbutan-1-ol (CID 115137475) is 2-(3-fluoro-N-methylanilino)-3-methylbutan-1-ol.
What is the SMILES notation for 2-(3-fluoro-N-methylanilino)-3-methylbutan-1-ol?
The canonical SMILES for 2-(3-fluoro-N-methylanilino)-3-methylbutan-1-ol is CC(C)C(CO)N(C)c1cccc(F)c1.
What is the InChIKey of 2-(3-fluoro-N-methylanilino)-3-methylbutan-1-ol?
The InChIKey is UPOVORIFZMAPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-9(2)12(8-15)14(3)11-6-4-5-10(13)7-11/h4-7,9,12,15H,8H2,1-3H3.
What are the key properties of 2-(3-fluoro-N-methylanilino)-3-methylbutan-1-ol?
2-(3-fluoro-N-methylanilino)-3-methylbutan-1-ol has a molecular weight of 211.28 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-N-methylanilino)-3-methylbutan-1-ol is sourced from PubChem (CID 115137475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).