N-[(3,4-dichlorophenyl)methyl]-2-pyridin-2-yloxypropan-1-amine;hydrochloride

C15H17Cl3N2O — CID 118741617

IUPACN-[(3,4-dichlorophenyl)methyl]-2-pyridin-2-yloxypropan-1-amine;hydrochloride
SMILESCC(CNCc1ccc(Cl)c(Cl)c1)Oc1ccccn1.Cl
InChIInChI=1S/C15H16Cl2N2O.ClH/c1-11(20-15-4-2-3-7-19-15)9-18-10-12-5-6-13(16)14(17)8-12;/h2-8,11,18H,9-10H2,1H3;1H
InChIKeyHJDHWQXMDBWSGB-UHFFFAOYSA-N
MW347.67 g/mol
LogP4.37
Rot. Bonds6

About N-[(3,4-dichlorophenyl)methyl]-2-pyridin-2-yloxypropan-1-amine;hydrochloride

N-[(3,4-dichlorophenyl)methyl]-2-pyridin-2-yloxypropan-1-amine;hydrochloride (PubChem CID 118741617) has the molecular formula C15H17Cl3N2O and a molecular weight of 347.67 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-2-pyridin-2-yloxypropan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-2-pyridin-2-yloxypropan-1-amine;hydrochloride
PubChem CID118741617
Molecular FormulaC15H17Cl3N2O
Molecular Weight347.67 g/mol
Exact Mass346.04
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-2-pyridin-2-yloxypropan-1-amine;hydrochloride
SMILESCC(CNCc1ccc(Cl)c(Cl)c1)Oc1ccccn1.Cl
InChIInChI=1S/C15H16Cl2N2O.ClH/c1-11(20-15-4-2-3-7-19-15)9-18-10-12-5-6-13(16)14(17)8-12;/h2-8,11,18H,9-10H2,1H3;1H
InChIKeyHJDHWQXMDBWSGB-UHFFFAOYSA-N
XLogP4.37
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.67
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-2-pyridin-2-yloxypropan-1-amine;hydrochloride?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-2-pyridin-2-yloxypropan-1-amine;hydrochloride (CID 118741617) is N-[(3,4-dichlorophenyl)methyl]-2-pyridin-2-yloxypropan-1-amine;hydrochloride.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-2-pyridin-2-yloxypropan-1-amine;hydrochloride?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-2-pyridin-2-yloxypropan-1-amine;hydrochloride is CC(CNCc1ccc(Cl)c(Cl)c1)Oc1ccccn1.Cl.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-2-pyridin-2-yloxypropan-1-amine;hydrochloride?
The InChIKey is HJDHWQXMDBWSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O.ClH/c1-11(20-15-4-2-3-7-19-15)9-18-10-12-5-6-13(16)14(17)8-12;/h2-8,11,18H,9-10H2,1H3;1H.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-2-pyridin-2-yloxypropan-1-amine;hydrochloride?
N-[(3,4-dichlorophenyl)methyl]-2-pyridin-2-yloxypropan-1-amine;hydrochloride has a molecular weight of 347.67 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-2-pyridin-2-yloxypropan-1-amine;hydrochloride is sourced from PubChem (CID 118741617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).