2-fluoro-N-(4-methoxybutan-2-yl)-3-methylaniline

C12H18FNO — CID 115923356

IUPAC2-fluoro-N-(4-methoxybutan-2-yl)-3-methylaniline
SMILESCOCCC(C)Nc1cccc(C)c1F
InChIInChI=1S/C12H18FNO/c1-9-5-4-6-11(12(9)13)14-10(2)7-8-15-3/h4-6,10,14H,7-8H2,1-3H3
InChIKeyKJXHDBWSLFTDTI-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.97
Rot. Bonds5

About 2-fluoro-N-(4-methoxybutan-2-yl)-3-methylaniline

2-fluoro-N-(4-methoxybutan-2-yl)-3-methylaniline (PubChem CID 115923356) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 2-fluoro-N-(4-methoxybutan-2-yl)-3-methylaniline.

Molecular Properties

Compound Name2-fluoro-N-(4-methoxybutan-2-yl)-3-methylaniline
PubChem CID115923356
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name2-fluoro-N-(4-methoxybutan-2-yl)-3-methylaniline
SMILESCOCCC(C)Nc1cccc(C)c1F
InChIInChI=1S/C12H18FNO/c1-9-5-4-6-11(12(9)13)14-10(2)7-8-15-3/h4-6,10,14H,7-8H2,1-3H3
InChIKeyKJXHDBWSLFTDTI-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-fluoro-N-(4-methoxybutan-2-yl)-3-methylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-fluoro-3-methylanilino)pentan-1-ol
CID 115976062
2,6-difluoro-N-(4-methoxybutan-2-yl)-3-methylaniline
CID 82816575
2-N-(4-methoxybutan-2-yl)-3-methylbenzene-1,2-diamine
CID 115550603
N-(4-methoxybutan-2-yl)-2-methylpyridin-3-amine
CID 79042219
N-(4-methoxybutan-2-yl)-2-(2-methoxyethyl)aniline
CID 102849074
3-chloro-2-fluoro-N-(1-methoxypropan-2-yl)aniline
CID 62535633
2-(4-methoxybutan-2-ylamino)-6-methylsulfanylbenzonitrile
CID 113385585
6-fluoro-N-(4-methoxybutan-2-yl)pyridin-2-amine
CID 62735334
3-N-(4-methoxybutan-2-yl)-4-methylbenzene-1,3-diamine
CID 64600487
1-(2-fluoro-3-methylphenyl)-4-methoxy-2-methylbutan-1-one
CID 115807583
2,3-difluoro-N-pentan-2-ylaniline
CID 61074639
1-(2-fluoro-3-methylphenyl)-4-methoxy-2-methylbutan-1-amine
CID 105044354

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(4-methoxybutan-2-yl)-3-methylaniline?
The IUPAC name of 2-fluoro-N-(4-methoxybutan-2-yl)-3-methylaniline (CID 115923356) is 2-fluoro-N-(4-methoxybutan-2-yl)-3-methylaniline.
What is the SMILES notation for 2-fluoro-N-(4-methoxybutan-2-yl)-3-methylaniline?
The canonical SMILES for 2-fluoro-N-(4-methoxybutan-2-yl)-3-methylaniline is COCCC(C)Nc1cccc(C)c1F.
What is the InChIKey of 2-fluoro-N-(4-methoxybutan-2-yl)-3-methylaniline?
The InChIKey is KJXHDBWSLFTDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-9-5-4-6-11(12(9)13)14-10(2)7-8-15-3/h4-6,10,14H,7-8H2,1-3H3.
What are the key properties of 2-fluoro-N-(4-methoxybutan-2-yl)-3-methylaniline?
2-fluoro-N-(4-methoxybutan-2-yl)-3-methylaniline has a molecular weight of 211.28 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(4-methoxybutan-2-yl)-3-methylaniline is sourced from PubChem (CID 115923356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).