N-[[3-bromo-4-[(2-ethylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine

C17H27BrN2 — CID 102769477

IUPACN-[[3-bromo-4-[(2-ethylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine
SMILESCCNCc1ccc(CN2CCCCC2CC)c(Br)c1
InChIInChI=1S/C17H27BrN2/c1-3-16-7-5-6-10-20(16)13-15-9-8-14(11-17(15)18)12-19-4-2/h8-9,11,16,19H,3-7,10,12-13H2,1-2H3
InChIKeyTWHSSWBBZWUWGN-UHFFFAOYSA-N
MW339.32 g/mol
LogP4.32
Rot. Bonds6

About N-[[3-bromo-4-[(2-ethylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine

N-[[3-bromo-4-[(2-ethylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine (PubChem CID 102769477) has the molecular formula C17H27BrN2 and a molecular weight of 339.32 g/mol. Its IUPAC name is N-[[3-bromo-4-[(2-ethylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-bromo-4-[(2-ethylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine
PubChem CID102769477
Molecular FormulaC17H27BrN2
Molecular Weight339.32 g/mol
Exact Mass338.14
IUPAC NameN-[[3-bromo-4-[(2-ethylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine
SMILESCCNCc1ccc(CN2CCCCC2CC)c(Br)c1
InChIInChI=1S/C17H27BrN2/c1-3-16-7-5-6-10-20(16)13-15-9-8-14(11-17(15)18)12-19-4-2/h8-9,11,16,19H,3-7,10,12-13H2,1-2H3
InChIKeyTWHSSWBBZWUWGN-UHFFFAOYSA-N
XLogP4.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[3-bromo-4-[(2-ethylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-bromo-4-[(2-ethylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 102768682
N-[[4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-3-bromophenyl]methyl]ethanamine
CID 102770301
1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-2-ethylpiperidine
CID 112799650
N-[[3-bromo-4-[(2,4-dimethylpyrrolidin-1-yl)methyl]phenyl]methyl]ethanamine
CID 102772024
(2S)-1-[(4-bromophenyl)methyl]-2-ethylpiperidine
CID 95356235
N-[[3-bromo-4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine
CID 102768820
N-[[3-bromo-4-[(3-tert-butylpyrrolidin-1-yl)methyl]phenyl]methyl]ethanamine
CID 102771876
N-[[5-[(2-ethylpiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62417960
N-[[2-[(2-ethylpiperidin-1-yl)methyl]furan-3-yl]methyl]ethanamine
CID 62419893
N-[[3-bromo-4-[(2,5-dimethylmorpholin-4-yl)methyl]phenyl]methyl]ethanamine
CID 102769702
1-[(4-bromo-2-fluorophenyl)methyl]-2-ethylazepane
CID 113441891
N-[[1-[(4-bromophenyl)methyl]piperidin-2-yl]methyl]ethanamine
CID 55220031

Frequently Asked Questions

What is the IUPAC name of N-[[3-bromo-4-[(2-ethylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-bromo-4-[(2-ethylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine (CID 102769477) is N-[[3-bromo-4-[(2-ethylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-bromo-4-[(2-ethylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-bromo-4-[(2-ethylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine is CCNCc1ccc(CN2CCCCC2CC)c(Br)c1.
What is the InChIKey of N-[[3-bromo-4-[(2-ethylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine?
The InChIKey is TWHSSWBBZWUWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2/c1-3-16-7-5-6-10-20(16)13-15-9-8-14(11-17(15)18)12-19-4-2/h8-9,11,16,19H,3-7,10,12-13H2,1-2H3.
What are the key properties of N-[[3-bromo-4-[(2-ethylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine?
N-[[3-bromo-4-[(2-ethylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine has a molecular weight of 339.32 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-bromo-4-[(2-ethylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine is sourced from PubChem (CID 102769477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).