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

C15H24BrN3 — CID 63782253

IUPACN-[2-(2-aminoethyl)-5-bromophenyl]-N,1-dimethylpiperidin-3-amine
SMILESCN1CCCC(N(C)c2cc(Br)ccc2CCN)C1
InChIInChI=1S/C15H24BrN3/c1-18-9-3-4-14(11-18)19(2)15-10-13(16)6-5-12(15)7-8-17/h5-6,10,14H,3-4,7-9,11,17H2,1-2H3
InChIKeySXVAEQBEZSBIGK-UHFFFAOYSA-N
MW326.28 g/mol
LogP2.48
Rot. Bonds4

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

N-[2-(2-aminoethyl)-5-bromophenyl]-N,1-dimethylpiperidin-3-amine (PubChem CID 63782253) has the molecular formula C15H24BrN3 and a molecular weight of 326.28 g/mol. Its IUPAC name is N-[2-(2-aminoethyl)-5-bromophenyl]-N,1-dimethylpiperidin-3-amine.

Molecular Properties

Compound NameN-[2-(2-aminoethyl)-5-bromophenyl]-N,1-dimethylpiperidin-3-amine
PubChem CID63782253
Molecular FormulaC15H24BrN3
Molecular Weight326.28 g/mol
Exact Mass325.12
IUPAC NameN-[2-(2-aminoethyl)-5-bromophenyl]-N,1-dimethylpiperidin-3-amine
SMILESCN1CCCC(N(C)c2cc(Br)ccc2CCN)C1
InChIInChI=1S/C15H24BrN3/c1-18-9-3-4-14(11-18)19(2)15-10-13(16)6-5-12(15)7-8-17/h5-6,10,14H,3-4,7-9,11,17H2,1-2H3
InChIKeySXVAEQBEZSBIGK-UHFFFAOYSA-N
XLogP2.48
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-aminoethyl)-4-chlorophenyl]-N,1-dimethylpiperidin-3-amine
CID 114860797
N-[2-(1-aminoethyl)-5-bromophenyl]-N,1-dimethylpiperidin-3-amine
CID 82968010
N-[(2-amino-4-bromophenyl)methyl]-N,1-dimethylpiperidin-3-amine
CID 79713286
N-[4-bromo-2-[1-(ethylamino)ethyl]phenyl]-N,1-dimethylpiperidin-3-amine
CID 82955224
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
2-(2-aminopropyl)-5-bromo-N-cyclopentyl-N-methylaniline
CID 63785627
N-[2-(2-aminoethyl)-5-bromophenyl]-N,2-dimethyloxolan-3-amine
CID 82754495
N-[2-(2-aminoethyl)phenyl]-N,1-dimethylpiperidin-4-amine
CID 63782695
1-[2-(2-aminoethyl)-5-bromophenyl]-N,N-dimethylpiperidin-4-amine
CID 63782727
N-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]-N,1-dimethylpiperidin-4-amine
CID 43280907
3-bromo-4-[methyl-(1-methylpiperidin-3-yl)amino]benzenecarbothioamide
CID 82804752

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethyl)-5-bromophenyl]-N,1-dimethylpiperidin-3-amine?
The IUPAC name of N-[2-(2-aminoethyl)-5-bromophenyl]-N,1-dimethylpiperidin-3-amine (CID 63782253) is N-[2-(2-aminoethyl)-5-bromophenyl]-N,1-dimethylpiperidin-3-amine.
What is the SMILES notation for N-[2-(2-aminoethyl)-5-bromophenyl]-N,1-dimethylpiperidin-3-amine?
The canonical SMILES for N-[2-(2-aminoethyl)-5-bromophenyl]-N,1-dimethylpiperidin-3-amine is CN1CCCC(N(C)c2cc(Br)ccc2CCN)C1.
What is the InChIKey of N-[2-(2-aminoethyl)-5-bromophenyl]-N,1-dimethylpiperidin-3-amine?
The InChIKey is SXVAEQBEZSBIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3/c1-18-9-3-4-14(11-18)19(2)15-10-13(16)6-5-12(15)7-8-17/h5-6,10,14H,3-4,7-9,11,17H2,1-2H3.
What are the key properties of N-[2-(2-aminoethyl)-5-bromophenyl]-N,1-dimethylpiperidin-3-amine?
N-[2-(2-aminoethyl)-5-bromophenyl]-N,1-dimethylpiperidin-3-amine has a molecular weight of 326.28 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethyl)-5-bromophenyl]-N,1-dimethylpiperidin-3-amine is sourced from PubChem (CID 63782253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).