N-[(4-bromophenyl)methyl]-2-pyridin-2-yloxypropan-1-amine

C15H17BrN2O — CID 71677591

IUPACN-[(4-bromophenyl)methyl]-2-pyridin-2-yloxypropan-1-amine
SMILESCC(CNCc1ccc(Br)cc1)Oc1ccccn1
InChIInChI=1S/C15H17BrN2O/c1-12(19-15-4-2-3-9-18-15)10-17-11-13-5-7-14(16)8-6-13/h2-9,12,17H,10-11H2,1H3
InChIKeyIGNAEEZEMCNXFV-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.40
Rot. Bonds6

About N-[(4-bromophenyl)methyl]-2-pyridin-2-yloxypropan-1-amine

N-[(4-bromophenyl)methyl]-2-pyridin-2-yloxypropan-1-amine (PubChem CID 71677591) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-2-pyridin-2-yloxypropan-1-amine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-2-pyridin-2-yloxypropan-1-amine
PubChem CID71677591
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC NameN-[(4-bromophenyl)methyl]-2-pyridin-2-yloxypropan-1-amine
SMILESCC(CNCc1ccc(Br)cc1)Oc1ccccn1
InChIInChI=1S/C15H17BrN2O/c1-12(19-15-4-2-3-9-18-15)10-17-11-13-5-7-14(16)8-6-13/h2-9,12,17H,10-11H2,1H3
InChIKeyIGNAEEZEMCNXFV-UHFFFAOYSA-N
XLogP3.40
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-2-pyridin-2-yloxypropan-1-amine?
The IUPAC name of N-[(4-bromophenyl)methyl]-2-pyridin-2-yloxypropan-1-amine (CID 71677591) is N-[(4-bromophenyl)methyl]-2-pyridin-2-yloxypropan-1-amine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-2-pyridin-2-yloxypropan-1-amine?
The canonical SMILES for N-[(4-bromophenyl)methyl]-2-pyridin-2-yloxypropan-1-amine is CC(CNCc1ccc(Br)cc1)Oc1ccccn1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-2-pyridin-2-yloxypropan-1-amine?
The InChIKey is IGNAEEZEMCNXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-12(19-15-4-2-3-9-18-15)10-17-11-13-5-7-14(16)8-6-13/h2-9,12,17H,10-11H2,1H3.
What are the key properties of N-[(4-bromophenyl)methyl]-2-pyridin-2-yloxypropan-1-amine?
N-[(4-bromophenyl)methyl]-2-pyridin-2-yloxypropan-1-amine has a molecular weight of 321.22 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-2-pyridin-2-yloxypropan-1-amine is sourced from PubChem (CID 71677591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).