1-(2-fluoro-4,6-dimethylphenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine

C17H27FN2 — CID 106881723

IUPAC1-(2-fluoro-4,6-dimethylphenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
SMILESCCC(C)(C(N)c1c(C)cc(C)cc1F)N1CCCC1
InChIInChI=1S/C17H27FN2/c1-5-17(4,20-8-6-7-9-20)16(19)15-13(3)10-12(2)11-14(15)18/h10-11,16H,5-9,19H2,1-4H3
InChIKeyXNJDCOBDGMFYBW-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.71
Rot. Bonds4

About 1-(2-fluoro-4,6-dimethylphenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine

1-(2-fluoro-4,6-dimethylphenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine (PubChem CID 106881723) has the molecular formula C17H27FN2 and a molecular weight of 278.42 g/mol. Its IUPAC name is 1-(2-fluoro-4,6-dimethylphenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine.

Molecular Properties

Compound Name1-(2-fluoro-4,6-dimethylphenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
PubChem CID106881723
Molecular FormulaC17H27FN2
Molecular Weight278.42 g/mol
Exact Mass278.22
IUPAC Name1-(2-fluoro-4,6-dimethylphenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
SMILESCCC(C)(C(N)c1c(C)cc(C)cc1F)N1CCCC1
InChIInChI=1S/C17H27FN2/c1-5-17(4,20-8-6-7-9-20)16(19)15-13(3)10-12(2)11-14(15)18/h10-11,16H,5-9,19H2,1-4H3
InChIKeyXNJDCOBDGMFYBW-UHFFFAOYSA-N
XLogP3.71
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-methyl-1-[2-(2,4,6-trimethylphenyl)ethyl]pyrrolidine
CID 44456292
(2S)-2-methyl-1-[2-(2,4,6-trimethylphenyl)ethyl]pyrrolidine
CID 44456333
(3R,4S)-1-[(2-fluoro-6-methylphenyl)methyl]-N,N-dimethyl-4-phenylpyrrolidin-3-amine
CID 137650804
2-(2,5-Dimethylphenyl)pyrrolidine
CID 4715076
2-(3,4-Dimethylphenyl)pyrrolidine
CID 4715235
2-(4-Ethylphenyl)-2-(pyrrolidin-1-yl)ethan-1-amine
CID 16642717
Trimexiline
CID 3045273
1-[1-(3,4-Dimethyl-phenyl)-ethyl]-piperazine
CID 2758613
N-{[(2S)-pyrrolidin-2-yl]methyl}-1-[3-(trifluoromethyl)phenyl]cyclobutan-1-amine
CID 163218526
1-(3-cyclopropyl-4-fluorophenyl)-N-{[(2R)-pyrrolidin-2-yl]methyl}cyclobutan-1-amine
CID 163218528
N-{[(2R)-pyrrolidin-2-yl]methyl}-1-[3-(trifluoromethyl)phenyl]cyclobutan-1-amine
CID 163218529
1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-{[(2R)-pyrrolidin-2-yl]methyl}cyclobutan-1-amine
CID 163218534

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4,6-dimethylphenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine?
The IUPAC name of 1-(2-fluoro-4,6-dimethylphenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine (CID 106881723) is 1-(2-fluoro-4,6-dimethylphenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine.
What is the SMILES notation for 1-(2-fluoro-4,6-dimethylphenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine?
The canonical SMILES for 1-(2-fluoro-4,6-dimethylphenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine is CCC(C)(C(N)c1c(C)cc(C)cc1F)N1CCCC1.
What is the InChIKey of 1-(2-fluoro-4,6-dimethylphenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine?
The InChIKey is XNJDCOBDGMFYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-5-17(4,20-8-6-7-9-20)16(19)15-13(3)10-12(2)11-14(15)18/h10-11,16H,5-9,19H2,1-4H3.
What are the key properties of 1-(2-fluoro-4,6-dimethylphenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine?
1-(2-fluoro-4,6-dimethylphenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine has a molecular weight of 278.42 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4,6-dimethylphenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine is sourced from PubChem (CID 106881723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).