[4-(3-bromophenoxy)-2-pyridinyl]methanamine

C12H11BrN2O — CID 62322517

IUPAC[4-(3-bromophenoxy)-2-pyridinyl]methanamine
SMILESNCc1cc(Oc2cccc(Br)c2)ccn1
InChIInChI=1S/C12H11BrN2O/c13-9-2-1-3-11(6-9)16-12-4-5-15-10(7-12)8-14/h1-7H,8,14H2
InChIKeyBHNSBPXCVOFINK-UHFFFAOYSA-N
MW279.14 g/mol
LogP3.10
Rot. Bonds3

About [4-(3-bromophenoxy)-2-pyridinyl]methanamine

[4-(3-bromophenoxy)-2-pyridinyl]methanamine (PubChem CID 62322517) has the molecular formula C12H11BrN2O and a molecular weight of 279.14 g/mol. Its IUPAC name is [4-(3-bromophenoxy)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-(3-bromophenoxy)-2-pyridinyl]methanamine
PubChem CID62322517
Molecular FormulaC12H11BrN2O
Molecular Weight279.14 g/mol
Exact Mass278.01
IUPAC Name[4-(3-bromophenoxy)-2-pyridinyl]methanamine
SMILESNCc1cc(Oc2cccc(Br)c2)ccn1
InChIInChI=1S/C12H11BrN2O/c13-9-2-1-3-11(6-9)16-12-4-5-15-10(7-12)8-14/h1-7H,8,14H2
InChIKeyBHNSBPXCVOFINK-UHFFFAOYSA-N
XLogP3.10
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.14
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3-bromo-4-fluorophenoxy)-2-pyridinyl]methanamine
CID 83232159
[4-(3,4-dimethylphenoxy)-2-pyridinyl]methanamine
CID 62297494
[4-(4-ethylphenoxy)-2-pyridinyl]methanamine
CID 62295885
[4-(4-phenylmethoxyphenoxy)-2-pyridinyl]methanamine
CID 69017208
[4-(2-bromo-4-methylphenoxy)-2-pyridinyl]methanamine
CID 55125081
[4-[[2-(aminomethyl)-4-pyridinyl]oxy]phenyl]methanesulfonamide
CID 134586819
[2-(3-bromophenoxy)phenyl]methanamine
CID 28966197
[5-bromo-2-(3-bromophenoxy)phenyl]methanamine
CID 114889905
4-(3-bromophenoxy)quinolin-8-amine
CID 83060320
[6-(3-bromophenoxy)-5-methyl-3-pyridinyl]methanamine
CID 80633368
[4-(2-ethoxyphenoxy)-2-pyridinyl]methanamine
CID 62298325
2-(3-bromophenoxy)-4-(chloromethyl)pyridine
CID 61267518

Frequently Asked Questions

What is the IUPAC name of [4-(3-bromophenoxy)-2-pyridinyl]methanamine?
The IUPAC name of [4-(3-bromophenoxy)-2-pyridinyl]methanamine (CID 62322517) is [4-(3-bromophenoxy)-2-pyridinyl]methanamine.
What is the SMILES notation for [4-(3-bromophenoxy)-2-pyridinyl]methanamine?
The canonical SMILES for [4-(3-bromophenoxy)-2-pyridinyl]methanamine is NCc1cc(Oc2cccc(Br)c2)ccn1.
What is the InChIKey of [4-(3-bromophenoxy)-2-pyridinyl]methanamine?
The InChIKey is BHNSBPXCVOFINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O/c13-9-2-1-3-11(6-9)16-12-4-5-15-10(7-12)8-14/h1-7H,8,14H2.
What are the key properties of [4-(3-bromophenoxy)-2-pyridinyl]methanamine?
[4-(3-bromophenoxy)-2-pyridinyl]methanamine has a molecular weight of 279.14 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-bromophenoxy)-2-pyridinyl]methanamine is sourced from PubChem (CID 62322517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).