N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-pyridin-2-ylethanamine;hydrochloride

C16H20BrClN2O2 — CID 47008250

IUPACN-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-pyridin-2-ylethanamine;hydrochloride
SMILESCOc1cc(Br)c(CNC(C)c2ccccn2)cc1OC.Cl
InChIInChI=1S/C16H19BrN2O2.ClH/c1-11(14-6-4-5-7-18-14)19-10-12-8-15(20-2)16(21-3)9-13(12)17;/h4-9,11,19H,10H2,1-3H3;1H
InChIKeyBFXAYWOOUGWZCI-UHFFFAOYSA-N
MW387.71 g/mol
LogP4.13
Rot. Bonds6

About N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-pyridin-2-ylethanamine;hydrochloride

N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-pyridin-2-ylethanamine;hydrochloride (PubChem CID 47008250) has the molecular formula C16H20BrClN2O2 and a molecular weight of 387.71 g/mol. Its IUPAC name is N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-pyridin-2-ylethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-pyridin-2-ylethanamine;hydrochloride
PubChem CID47008250
Molecular FormulaC16H20BrClN2O2
Molecular Weight387.71 g/mol
Exact Mass386.04
IUPAC NameN-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-pyridin-2-ylethanamine;hydrochloride
SMILESCOc1cc(Br)c(CNC(C)c2ccccn2)cc1OC.Cl
InChIInChI=1S/C16H19BrN2O2.ClH/c1-11(14-6-4-5-7-18-14)19-10-12-8-15(20-2)16(21-3)9-13(12)17;/h4-9,11,19H,10H2,1-3H3;1H
InChIKeyBFXAYWOOUGWZCI-UHFFFAOYSA-N
XLogP4.13
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.71
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-pyridin-2-ylethanamine;hydrochloride 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

(1R)-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-phenylethanamine
CID 78950351
methyl 3-bromo-4-[(1-pyridin-2-ylethylamino)methyl]benzoate
CID 102766516
1-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
CID 47008253
(1R)-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-naphthalen-1-ylethanamine
CID 30624665
3-bromo-4-[[[(1R)-1-pyridin-2-ylethyl]amino]methyl]benzoic acid
CID 103258370
(1R)-1-pyridin-2-yl-N-(pyrimidin-2-ylmethyl)ethanamine
CID 81407076
(1S)-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81403898
(1S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-pyridin-2-ylethanamine
CID 78978043
(1R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-pyridin-2-ylethanamine
CID 81402354
(1R)-N-[(4-bromo-3-methylphenyl)methyl]-1-pyridin-2-ylethanamine
CID 81401570
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-methylpentan-2-amine
CID 43775679
(1R)-N-[(2-ethylphenyl)methyl]-1-pyridin-2-ylethanamine
CID 81401879

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-pyridin-2-ylethanamine;hydrochloride?
The IUPAC name of N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-pyridin-2-ylethanamine;hydrochloride (CID 47008250) is N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-pyridin-2-ylethanamine;hydrochloride.
What is the SMILES notation for N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-pyridin-2-ylethanamine;hydrochloride?
The canonical SMILES for N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-pyridin-2-ylethanamine;hydrochloride is COc1cc(Br)c(CNC(C)c2ccccn2)cc1OC.Cl.
What is the InChIKey of N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-pyridin-2-ylethanamine;hydrochloride?
The InChIKey is BFXAYWOOUGWZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O2.ClH/c1-11(14-6-4-5-7-18-14)19-10-12-8-15(20-2)16(21-3)9-13(12)17;/h4-9,11,19H,10H2,1-3H3;1H.
What are the key properties of N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-pyridin-2-ylethanamine;hydrochloride?
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-pyridin-2-ylethanamine;hydrochloride has a molecular weight of 387.71 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-pyridin-2-ylethanamine;hydrochloride is sourced from PubChem (CID 47008250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).