1-(4-bromo-2-fluorophenyl)-N-methyl-N-(1-methylpiperidin-3-yl)ethane-1,2-diamine

C15H23BrFN3 — CID 62545332

IUPAC1-(4-bromo-2-fluorophenyl)-N-methyl-N-(1-methylpiperidin-3-yl)ethane-1,2-diamine
SMILESCN1CCCC(N(C)C(CN)c2ccc(Br)cc2F)C1
InChIInChI=1S/C15H23BrFN3/c1-19-7-3-4-12(10-19)20(2)15(9-18)13-6-5-11(16)8-14(13)17/h5-6,8,12,15H,3-4,7,9-10,18H2,1-2H3
InChIKeyUJAVVPLJWRLZEK-UHFFFAOYSA-N
MW344.27 g/mol
LogP2.61
Rot. Bonds4

About 1-(4-bromo-2-fluorophenyl)-N-methyl-N-(1-methylpiperidin-3-yl)ethane-1,2-diamine

1-(4-bromo-2-fluorophenyl)-N-methyl-N-(1-methylpiperidin-3-yl)ethane-1,2-diamine (PubChem CID 62545332) has the molecular formula C15H23BrFN3 and a molecular weight of 344.27 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-N-methyl-N-(1-methylpiperidin-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-N-methyl-N-(1-methylpiperidin-3-yl)ethane-1,2-diamine
PubChem CID62545332
Molecular FormulaC15H23BrFN3
Molecular Weight344.27 g/mol
Exact Mass343.11
IUPAC Name1-(4-bromo-2-fluorophenyl)-N-methyl-N-(1-methylpiperidin-3-yl)ethane-1,2-diamine
SMILESCN1CCCC(N(C)C(CN)c2ccc(Br)cc2F)C1
InChIInChI=1S/C15H23BrFN3/c1-19-7-3-4-12(10-19)20(2)15(9-18)13-6-5-11(16)8-14(13)17/h5-6,8,12,15H,3-4,7,9-10,18H2,1-2H3
InChIKeyUJAVVPLJWRLZEK-UHFFFAOYSA-N
XLogP2.61
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.27
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-difluorophenyl)-N-methyl-N-(1-methylpiperidin-3-yl)ethane-1,2-diamine
CID 63669450
1-(4-bromothiophen-2-yl)-N-methyl-N-(1-methylpiperidin-3-yl)ethane-1,2-diamine
CID 62545505
1-(4-bromo-2-fluorophenyl)-N-(1,1-dioxothiolan-3-yl)-N-methylethane-1,2-diamine
CID 43648660
1-(4-bromo-2-fluorophenyl)-N-(cyclopropylmethyl)-N-methylethane-1,2-diamine
CID 54883966
N-methyl-N-(1-methylpiperidin-3-yl)-1-phenylethane-1,2-diamine
CID 62546739
N-cycloheptyl-1-(2,4-difluorophenyl)-N-methylethane-1,2-diamine
CID 43613899
N-methyl-N-(1-methylpiperidin-3-yl)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 62546573
3-fluoro-4-[1-[methyl-(1-methylpiperidin-3-yl)amino]ethyl]phenol
CID 107721085
N-[2-(1-aminoethyl)-5-bromophenyl]-N,1-dimethylpiperidin-3-amine
CID 82968010
1-(4-bromo-2-fluorophenyl)-N-cyclopropyl-N-propylethane-1,2-diamine
CID 43270201
N-[2-(2-aminoethyl)-5-bromophenyl]-N,1-dimethylpiperidin-3-amine
CID 63782253
N-[(2-amino-4-bromophenyl)methyl]-N,1-dimethylpiperidin-3-amine
CID 79713286

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-N-methyl-N-(1-methylpiperidin-3-yl)ethane-1,2-diamine?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-N-methyl-N-(1-methylpiperidin-3-yl)ethane-1,2-diamine (CID 62545332) is 1-(4-bromo-2-fluorophenyl)-N-methyl-N-(1-methylpiperidin-3-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-N-methyl-N-(1-methylpiperidin-3-yl)ethane-1,2-diamine?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-N-methyl-N-(1-methylpiperidin-3-yl)ethane-1,2-diamine is CN1CCCC(N(C)C(CN)c2ccc(Br)cc2F)C1.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-N-methyl-N-(1-methylpiperidin-3-yl)ethane-1,2-diamine?
The InChIKey is UJAVVPLJWRLZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrFN3/c1-19-7-3-4-12(10-19)20(2)15(9-18)13-6-5-11(16)8-14(13)17/h5-6,8,12,15H,3-4,7,9-10,18H2,1-2H3.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-N-methyl-N-(1-methylpiperidin-3-yl)ethane-1,2-diamine?
1-(4-bromo-2-fluorophenyl)-N-methyl-N-(1-methylpiperidin-3-yl)ethane-1,2-diamine has a molecular weight of 344.27 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-N-methyl-N-(1-methylpiperidin-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 62545332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).