N-[2-(1-aminoethyl)-5-bromophenyl]-N,1-dimethylpiperidin-3-amine

C15H24BrN3 — CID 82968010

IUPACN-[2-(1-aminoethyl)-5-bromophenyl]-N,1-dimethylpiperidin-3-amine
SMILESCC(N)c1ccc(Br)cc1N(C)C1CCCN(C)C1
InChIInChI=1S/C15H24BrN3/c1-11(17)14-7-6-12(16)9-15(14)19(3)13-5-4-8-18(2)10-13/h6-7,9,11,13H,4-5,8,10,17H2,1-3H3
InChIKeyLFJYKVCQLCVGRH-UHFFFAOYSA-N
MW326.28 g/mol
LogP3.00
Rot. Bonds3

About N-[2-(1-aminoethyl)-5-bromophenyl]-N,1-dimethylpiperidin-3-amine

N-[2-(1-aminoethyl)-5-bromophenyl]-N,1-dimethylpiperidin-3-amine (PubChem CID 82968010) has the molecular formula C15H24BrN3 and a molecular weight of 326.28 g/mol. Its IUPAC name is N-[2-(1-aminoethyl)-5-bromophenyl]-N,1-dimethylpiperidin-3-amine.

Molecular Properties

Compound NameN-[2-(1-aminoethyl)-5-bromophenyl]-N,1-dimethylpiperidin-3-amine
PubChem CID82968010
Molecular FormulaC15H24BrN3
Molecular Weight326.28 g/mol
Exact Mass325.12
IUPAC NameN-[2-(1-aminoethyl)-5-bromophenyl]-N,1-dimethylpiperidin-3-amine
SMILESCC(N)c1ccc(Br)cc1N(C)C1CCCN(C)C1
InChIInChI=1S/C15H24BrN3/c1-11(17)14-7-6-12(16)9-15(14)19(3)13-5-4-8-18(2)10-13/h6-7,9,11,13H,4-5,8,10,17H2,1-3H3
InChIKeyLFJYKVCQLCVGRH-UHFFFAOYSA-N
XLogP3.00
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-aminoethyl)-5-bromophenyl]-N,1-dimethylpiperidin-3-amine
CID 63782253
N-[4-bromo-2-[1-(ethylamino)ethyl]phenyl]-N,1-dimethylpiperidin-3-amine
CID 82955224
2-(1-aminoethyl)-4-bromo-N-cyclopentyl-N-methylaniline
CID 82972417
3-[4-bromo-2-[methyl-(1-methylpiperidin-3-yl)amino]phenyl]prop-2-enoic acid
CID 76946389
1-(4-bromo-2-fluorophenyl)-N-methyl-N-(1-methylpiperidin-3-yl)ethane-1,2-diamine
CID 62545332
1-(2-bromophenyl)-1-N-methyl-1-N-(1-methylpiperidin-3-yl)propane-1,2-diamine
CID 62547273
N-[4-(2-aminopropyl)-2-fluorophenyl]-N,1-dimethylpiperidin-3-amine
CID 63793431
2-(1-aminoethyl)-5-bromo-N-(cyclopropylmethyl)-N-ethylaniline
CID 82967886
N-[(2-amino-4-bromophenyl)methyl]-N,1-dimethylpiperidin-3-amine
CID 79713286
3-bromo-4-[methyl-(1-methylpiperidin-3-yl)amino]benzenecarbothioamide
CID 82804752
2-(2-aminopropyl)-5-bromo-N-cyclopentyl-N-methylaniline
CID 63785627
N-(4-bromophenyl)-N,1-dimethylpyrrolidin-3-amine
CID 83844779

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-aminoethyl)-5-bromophenyl]-N,1-dimethylpiperidin-3-amine?
The IUPAC name of N-[2-(1-aminoethyl)-5-bromophenyl]-N,1-dimethylpiperidin-3-amine (CID 82968010) is N-[2-(1-aminoethyl)-5-bromophenyl]-N,1-dimethylpiperidin-3-amine.
What is the SMILES notation for N-[2-(1-aminoethyl)-5-bromophenyl]-N,1-dimethylpiperidin-3-amine?
The canonical SMILES for N-[2-(1-aminoethyl)-5-bromophenyl]-N,1-dimethylpiperidin-3-amine is CC(N)c1ccc(Br)cc1N(C)C1CCCN(C)C1.
What is the InChIKey of N-[2-(1-aminoethyl)-5-bromophenyl]-N,1-dimethylpiperidin-3-amine?
The InChIKey is LFJYKVCQLCVGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3/c1-11(17)14-7-6-12(16)9-15(14)19(3)13-5-4-8-18(2)10-13/h6-7,9,11,13H,4-5,8,10,17H2,1-3H3.
What are the key properties of N-[2-(1-aminoethyl)-5-bromophenyl]-N,1-dimethylpiperidin-3-amine?
N-[2-(1-aminoethyl)-5-bromophenyl]-N,1-dimethylpiperidin-3-amine has a molecular weight of 326.28 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-aminoethyl)-5-bromophenyl]-N,1-dimethylpiperidin-3-amine is sourced from PubChem (CID 82968010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).