N-[[2-(3-bromophenoxy)-5-chloro-4-pyridinyl]methyl]-2-methylpropan-1-amine

C16H18BrClN2O — CID 114928291

IUPACN-[[2-(3-bromophenoxy)-5-chloro-4-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cc(Oc2cccc(Br)c2)ncc1Cl
InChIInChI=1S/C16H18BrClN2O/c1-11(2)8-19-9-12-6-16(20-10-15(12)18)21-14-5-3-4-13(17)7-14/h3-7,10-11,19H,8-9H2,1-2H3
InChIKeyGPONMETUBGUZKG-UHFFFAOYSA-N
MW369.69 g/mol
LogP5.04
Rot. Bonds6

About N-[[2-(3-bromophenoxy)-5-chloro-4-pyridinyl]methyl]-2-methylpropan-1-amine

N-[[2-(3-bromophenoxy)-5-chloro-4-pyridinyl]methyl]-2-methylpropan-1-amine (PubChem CID 114928291) has the molecular formula C16H18BrClN2O and a molecular weight of 369.69 g/mol. Its IUPAC name is N-[[2-(3-bromophenoxy)-5-chloro-4-pyridinyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(3-bromophenoxy)-5-chloro-4-pyridinyl]methyl]-2-methylpropan-1-amine
PubChem CID114928291
Molecular FormulaC16H18BrClN2O
Molecular Weight369.69 g/mol
Exact Mass368.03
IUPAC NameN-[[2-(3-bromophenoxy)-5-chloro-4-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cc(Oc2cccc(Br)c2)ncc1Cl
InChIInChI=1S/C16H18BrClN2O/c1-11(2)8-19-9-12-6-16(20-10-15(12)18)21-14-5-3-4-13(17)7-14/h3-7,10-11,19H,8-9H2,1-2H3
InChIKeyGPONMETUBGUZKG-UHFFFAOYSA-N
XLogP5.04
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.69
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chloro-2-phenoxy-4-pyridinyl)methyl]-2-methylpropan-1-amine
CID 114928222
N-[[5-bromo-2-(3-bromophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 63487635
N-[[3-(3-bromophenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105075392
N-[[5-chloro-2-(3-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 114928325
N-[[5-chloro-2-(3-methoxyphenoxy)-4-pyridinyl]methyl]ethanamine
CID 114928088
N-[[5-chloro-2-(3-methylbutoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114927694
N-[[2-[(3-bromophenoxy)methyl]phenyl]methyl]-2-methylpropan-1-amine
CID 63498759
1-[5-chloro-2-(3-methylphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 114928186
N-[[2-[(5-bromo-3-pyridinyl)oxy]-5-chloro-4-pyridinyl]methyl]propan-2-amine
CID 114928733
N-[[5-chloro-2-(thiophen-2-ylmethoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114928566
N-[[5-chloro-2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114927846
N-[[5-chloro-2-(2-thiophen-2-ylethoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114928581

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-bromophenoxy)-5-chloro-4-pyridinyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(3-bromophenoxy)-5-chloro-4-pyridinyl]methyl]-2-methylpropan-1-amine (CID 114928291) is N-[[2-(3-bromophenoxy)-5-chloro-4-pyridinyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(3-bromophenoxy)-5-chloro-4-pyridinyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(3-bromophenoxy)-5-chloro-4-pyridinyl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1cc(Oc2cccc(Br)c2)ncc1Cl.
What is the InChIKey of N-[[2-(3-bromophenoxy)-5-chloro-4-pyridinyl]methyl]-2-methylpropan-1-amine?
The InChIKey is GPONMETUBGUZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrClN2O/c1-11(2)8-19-9-12-6-16(20-10-15(12)18)21-14-5-3-4-13(17)7-14/h3-7,10-11,19H,8-9H2,1-2H3.
What are the key properties of N-[[2-(3-bromophenoxy)-5-chloro-4-pyridinyl]methyl]-2-methylpropan-1-amine?
N-[[2-(3-bromophenoxy)-5-chloro-4-pyridinyl]methyl]-2-methylpropan-1-amine has a molecular weight of 369.69 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-bromophenoxy)-5-chloro-4-pyridinyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 114928291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).