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

C15H18BrClN2O — CID 118741613

IUPACN-[(4-bromophenyl)methyl]-2-pyridin-2-yloxypropan-1-amine;hydrochloride
SMILESCC(CNCc1ccc(Br)cc1)Oc1ccccn1.Cl
InChIInChI=1S/C15H17BrN2O.ClH/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;1H
InChIKeyNWXHDHNLZITZLL-UHFFFAOYSA-N
MW357.68 g/mol
LogP3.82
Rot. Bonds6

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

N-[(4-bromophenyl)methyl]-2-pyridin-2-yloxypropan-1-amine;hydrochloride (PubChem CID 118741613) has the molecular formula C15H18BrClN2O and a molecular weight of 357.68 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-2-pyridin-2-yloxypropan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-2-pyridin-2-yloxypropan-1-amine;hydrochloride
PubChem CID118741613
Molecular FormulaC15H18BrClN2O
Molecular Weight357.68 g/mol
Exact Mass356.03
IUPAC NameN-[(4-bromophenyl)methyl]-2-pyridin-2-yloxypropan-1-amine;hydrochloride
SMILESCC(CNCc1ccc(Br)cc1)Oc1ccccn1.Cl
InChIInChI=1S/C15H17BrN2O.ClH/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;1H
InChIKeyNWXHDHNLZITZLL-UHFFFAOYSA-N
XLogP3.82
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.68
LogP ≤ 53.82
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;hydrochloride?
The IUPAC name of N-[(4-bromophenyl)methyl]-2-pyridin-2-yloxypropan-1-amine;hydrochloride (CID 118741613) is N-[(4-bromophenyl)methyl]-2-pyridin-2-yloxypropan-1-amine;hydrochloride.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-2-pyridin-2-yloxypropan-1-amine;hydrochloride?
The canonical SMILES for N-[(4-bromophenyl)methyl]-2-pyridin-2-yloxypropan-1-amine;hydrochloride is CC(CNCc1ccc(Br)cc1)Oc1ccccn1.Cl.
What is the InChIKey of N-[(4-bromophenyl)methyl]-2-pyridin-2-yloxypropan-1-amine;hydrochloride?
The InChIKey is NWXHDHNLZITZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O.ClH/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;1H.
What are the key properties of N-[(4-bromophenyl)methyl]-2-pyridin-2-yloxypropan-1-amine;hydrochloride?
N-[(4-bromophenyl)methyl]-2-pyridin-2-yloxypropan-1-amine;hydrochloride has a molecular weight of 357.68 g/mol, XLogP of 3.82, 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;hydrochloride is sourced from PubChem (CID 118741613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).