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

C16H19BrN2O — CID 62296075

IUPACN-[[2-(4-bromophenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccnc(Oc2ccc(Br)cc2)c1
InChIInChI=1S/C16H19BrN2O/c1-12(2)10-18-11-13-7-8-19-16(9-13)20-15-5-3-14(17)4-6-15/h3-9,12,18H,10-11H2,1-2H3
InChIKeyWHGVZNXTYMEJOF-UHFFFAOYSA-N
MW335.25 g/mol
LogP4.38
Rot. Bonds6

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

N-[[2-(4-bromophenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine (PubChem CID 62296075) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is N-[[2-(4-bromophenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(4-bromophenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
PubChem CID62296075
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC NameN-[[2-(4-bromophenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccnc(Oc2ccc(Br)cc2)c1
InChIInChI=1S/C16H19BrN2O/c1-12(2)10-18-11-13-7-8-19-16(9-13)20-15-5-3-14(17)4-6-15/h3-9,12,18H,10-11H2,1-2H3
InChIKeyWHGVZNXTYMEJOF-UHFFFAOYSA-N
XLogP4.38
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[[2-(4-methylsulfanylphenoxy)-4-pyridinyl]methyl]propan-1-amine
CID 63647549
2-methyl-N-[[2-(2-methylpropoxy)-4-pyridinyl]methyl]propan-1-amine
CID 62291047
N-[[2-(2-bromo-4-chlorophenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62322021
N-[[2-(2-methoxyphenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62323227
N-[[2-(2-butoxyethoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62292365
N-[(2-cyclobutyloxy-4-pyridinyl)methyl]-2-methylpropan-1-amine
CID 62287517
N-[[4-(4-bromophenoxy)-2-methylphenyl]methyl]-2-methylpropan-1-amine
CID 63552547
2-methyl-N-[[2-(3-methylbut-3-enoxy)-4-pyridinyl]methyl]propan-1-amine
CID 114470489
N-[[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 116689946
N-[[2-(4-chlorophenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 62297313
N-[[2-(4-bromo-2-propan-2-ylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 115402661
N-[[4-bromo-2-(4-bromophenoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63552178

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-bromophenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(4-bromophenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine (CID 62296075) is N-[[2-(4-bromophenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(4-bromophenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(4-bromophenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1ccnc(Oc2ccc(Br)cc2)c1.
What is the InChIKey of N-[[2-(4-bromophenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine?
The InChIKey is WHGVZNXTYMEJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-12(2)10-18-11-13-7-8-19-16(9-13)20-15-5-3-14(17)4-6-15/h3-9,12,18H,10-11H2,1-2H3.
What are the key properties of N-[[2-(4-bromophenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine?
N-[[2-(4-bromophenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine has a molecular weight of 335.25 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-bromophenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62296075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).