2-fluoro-N-(3-methoxy-3-methylbutyl)aniline

C12H18FNO — CID 102975543

IUPAC2-fluoro-N-(3-methoxy-3-methylbutyl)aniline
SMILESCOC(C)(C)CCNc1ccccc1F
InChIInChI=1S/C12H18FNO/c1-12(2,15-3)8-9-14-11-7-5-4-6-10(11)13/h4-7,14H,8-9H2,1-3H3
InChIKeyNODBDEFIDOWCSG-UHFFFAOYSA-N
MW211.28 g/mol
LogP3.05
Rot. Bonds5

About 2-fluoro-N-(3-methoxy-3-methylbutyl)aniline

2-fluoro-N-(3-methoxy-3-methylbutyl)aniline (PubChem CID 102975543) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 2-fluoro-N-(3-methoxy-3-methylbutyl)aniline.

Molecular Properties

Compound Name2-fluoro-N-(3-methoxy-3-methylbutyl)aniline
PubChem CID102975543
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name2-fluoro-N-(3-methoxy-3-methylbutyl)aniline
SMILESCOC(C)(C)CCNc1ccccc1F
InChIInChI=1S/C12H18FNO/c1-12(2,15-3)8-9-14-11-7-5-4-6-10(11)13/h4-7,14H,8-9H2,1-3H3
InChIKeyNODBDEFIDOWCSG-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-difluoro-N-(3-methoxy-3-methylbutyl)aniline
CID 102975625
2,4-difluoro-N-(3-methoxy-3-methylbutyl)aniline
CID 102975547
2-(chloromethyl)-N-(3-methoxy-3-methylbutyl)aniline
CID 103037176
N-[2-[(3-methoxy-3-methylbutyl)amino]phenyl]methanesulfonamide
CID 106675317
2-ethylsulfonyl-N-(3-methoxy-3-methylbutyl)aniline
CID 106675293
N-(3-methoxy-3-methylbutyl)-2-(2,2,2-trifluoroethylsulfanyl)aniline
CID 102975645
4-fluoro-2-methoxy-N-(3-methoxy-3-methylbutyl)aniline
CID 102975690
N-(3-methoxy-3-methylbutyl)-2-(pyrrolidin-1-ylmethyl)aniline
CID 102975712
N-(3-methoxy-3-methylbutyl)quinolin-8-amine
CID 106675039
tert-butyl 3-(2-fluoroanilino)propanoate
CID 19023587
methyl 4-(2-fluoroanilino)butanoate
CID 43377911
1-N-(2-fluorophenyl)-2-methylpropane-1,2-diamine
CID 73013426

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(3-methoxy-3-methylbutyl)aniline?
The IUPAC name of 2-fluoro-N-(3-methoxy-3-methylbutyl)aniline (CID 102975543) is 2-fluoro-N-(3-methoxy-3-methylbutyl)aniline.
What is the SMILES notation for 2-fluoro-N-(3-methoxy-3-methylbutyl)aniline?
The canonical SMILES for 2-fluoro-N-(3-methoxy-3-methylbutyl)aniline is COC(C)(C)CCNc1ccccc1F.
What is the InChIKey of 2-fluoro-N-(3-methoxy-3-methylbutyl)aniline?
The InChIKey is NODBDEFIDOWCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-12(2,15-3)8-9-14-11-7-5-4-6-10(11)13/h4-7,14H,8-9H2,1-3H3.
What are the key properties of 2-fluoro-N-(3-methoxy-3-methylbutyl)aniline?
2-fluoro-N-(3-methoxy-3-methylbutyl)aniline has a molecular weight of 211.28 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(3-methoxy-3-methylbutyl)aniline is sourced from PubChem (CID 102975543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).