N-[[6-(3-bromophenoxy)-5-chloro-3-pyridinyl]methyl]-2-methylpropan-2-amine

C16H18BrClN2O — CID 62323927

IUPACN-[[6-(3-bromophenoxy)-5-chloro-3-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cnc(Oc2cccc(Br)c2)c(Cl)c1
InChIInChI=1S/C16H18BrClN2O/c1-16(2,3)20-10-11-7-14(18)15(19-9-11)21-13-6-4-5-12(17)8-13/h4-9,20H,10H2,1-3H3
InChIKeyQPUGMNORXGVHSD-UHFFFAOYSA-N
MW369.69 g/mol
LogP5.18
Rot. Bonds4

About N-[[6-(3-bromophenoxy)-5-chloro-3-pyridinyl]methyl]-2-methylpropan-2-amine

N-[[6-(3-bromophenoxy)-5-chloro-3-pyridinyl]methyl]-2-methylpropan-2-amine (PubChem CID 62323927) has the molecular formula C16H18BrClN2O and a molecular weight of 369.69 g/mol. Its IUPAC name is N-[[6-(3-bromophenoxy)-5-chloro-3-pyridinyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[6-(3-bromophenoxy)-5-chloro-3-pyridinyl]methyl]-2-methylpropan-2-amine
PubChem CID62323927
Molecular FormulaC16H18BrClN2O
Molecular Weight369.69 g/mol
Exact Mass368.03
IUPAC NameN-[[6-(3-bromophenoxy)-5-chloro-3-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cnc(Oc2cccc(Br)c2)c(Cl)c1
InChIInChI=1S/C16H18BrClN2O/c1-16(2,3)20-10-11-7-14(18)15(19-9-11)21-13-6-4-5-12(17)8-13/h4-9,20H,10H2,1-3H3
InChIKeyQPUGMNORXGVHSD-UHFFFAOYSA-N
XLogP5.18
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.69
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[6-(3-bromophenoxy)-5-chloro-3-pyridinyl]methyl]-2-methylpropan-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3-bromophenoxy)-5-chloro-3-pyridinyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[6-(3-bromophenoxy)-5-chloro-3-pyridinyl]methyl]-2-methylpropan-2-amine (CID 62323927) is N-[[6-(3-bromophenoxy)-5-chloro-3-pyridinyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[6-(3-bromophenoxy)-5-chloro-3-pyridinyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[6-(3-bromophenoxy)-5-chloro-3-pyridinyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1cnc(Oc2cccc(Br)c2)c(Cl)c1.
What is the InChIKey of N-[[6-(3-bromophenoxy)-5-chloro-3-pyridinyl]methyl]-2-methylpropan-2-amine?
The InChIKey is QPUGMNORXGVHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrClN2O/c1-16(2,3)20-10-11-7-14(18)15(19-9-11)21-13-6-4-5-12(17)8-13/h4-9,20H,10H2,1-3H3.
What are the key properties of N-[[6-(3-bromophenoxy)-5-chloro-3-pyridinyl]methyl]-2-methylpropan-2-amine?
N-[[6-(3-bromophenoxy)-5-chloro-3-pyridinyl]methyl]-2-methylpropan-2-amine has a molecular weight of 369.69 g/mol, XLogP of 5.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3-bromophenoxy)-5-chloro-3-pyridinyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62323927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).