1-(3-bromo-2-fluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine

C16H24BrFN2 — CID 106645806

IUPAC1-(3-bromo-2-fluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine
SMILESCCC(C)(C(N)c1cccc(Br)c1F)N1CCCCC1
InChIInChI=1S/C16H24BrFN2/c1-3-16(2,20-10-5-4-6-11-20)15(19)12-8-7-9-13(17)14(12)18/h7-9,15H,3-6,10-11,19H2,1-2H3
InChIKeyTUNDTPYSQUKDFT-UHFFFAOYSA-N
MW343.28 g/mol
LogP4.24
Rot. Bonds4

About 1-(3-bromo-2-fluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine

1-(3-bromo-2-fluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine (PubChem CID 106645806) has the molecular formula C16H24BrFN2 and a molecular weight of 343.28 g/mol. Its IUPAC name is 1-(3-bromo-2-fluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-2-fluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine
PubChem CID106645806
Molecular FormulaC16H24BrFN2
Molecular Weight343.28 g/mol
Exact Mass342.11
IUPAC Name1-(3-bromo-2-fluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine
SMILESCCC(C)(C(N)c1cccc(Br)c1F)N1CCCCC1
InChIInChI=1S/C16H24BrFN2/c1-3-16(2,20-10-5-4-6-11-20)15(19)12-8-7-9-13(17)14(12)18/h7-9,15H,3-6,10-11,19H2,1-2H3
InChIKeyTUNDTPYSQUKDFT-UHFFFAOYSA-N
XLogP4.24
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.28
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-2-fluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-ol
CID 106645115
1-(2-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79068482
2-methyl-2-pyrrolidin-1-yl-1-(2,3,4-trifluorophenyl)butan-1-amine
CID 79068641
1-(3-bromo-2-fluorophenyl)-2,2-dimethylbutan-1-amine
CID 106647656
2-methyl-1-(2-methylphenyl)-2-pyrrolidin-1-ylbutan-1-amine
CID 79069491
1-(2,5-difluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine
CID 79065070
1-(3-fluoro-4-pyridinyl)-2-methyl-2-piperidin-1-ylbutan-1-amine
CID 104738438
1-(3-bromo-2-fluorophenyl)-2-methoxy-2-methylbutan-1-amine
CID 106646137
1-(2-chloro-5-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 105395170
1-(3-fluoro-4-pyridinyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 113447268
1-(2,3-dihydro-1-benzofuran-7-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 114745701
1-(3-chloro-2-fluorophenyl)-3-methyl-3-piperidin-1-ylpentan-2-amine
CID 102857722

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-fluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine?
The IUPAC name of 1-(3-bromo-2-fluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine (CID 106645806) is 1-(3-bromo-2-fluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine.
What is the SMILES notation for 1-(3-bromo-2-fluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine?
The canonical SMILES for 1-(3-bromo-2-fluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine is CCC(C)(C(N)c1cccc(Br)c1F)N1CCCCC1.
What is the InChIKey of 1-(3-bromo-2-fluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine?
The InChIKey is TUNDTPYSQUKDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrFN2/c1-3-16(2,20-10-5-4-6-11-20)15(19)12-8-7-9-13(17)14(12)18/h7-9,15H,3-6,10-11,19H2,1-2H3.
What are the key properties of 1-(3-bromo-2-fluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine?
1-(3-bromo-2-fluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine has a molecular weight of 343.28 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-fluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine is sourced from PubChem (CID 106645806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).