N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;dihydrochloride

C15H18Cl4N2O — CID 163328823

IUPACN-[(3,5-dichloro-2-ethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;dihydrochloride
SMILESCCOc1c(Cl)cc(Cl)cc1CNCc1ccncc1.Cl.Cl
InChIInChI=1S/C15H16Cl2N2O.2ClH/c1-2-20-15-12(7-13(16)8-14(15)17)10-19-9-11-3-5-18-6-4-11;;/h3-8,19H,2,9-10H2,1H3;2*1H
InChIKeyOXCNTWVSLQGUAE-UHFFFAOYSA-N
MW384.13 g/mol
LogP4.92
Rot. Bonds6

About N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;dihydrochloride

N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;dihydrochloride (PubChem CID 163328823) has the molecular formula C15H18Cl4N2O and a molecular weight of 384.13 g/mol. Its IUPAC name is N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;dihydrochloride.

Molecular Properties

Compound NameN-[(3,5-dichloro-2-ethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;dihydrochloride
PubChem CID163328823
Molecular FormulaC15H18Cl4N2O
Molecular Weight384.13 g/mol
Exact Mass382.02
IUPAC NameN-[(3,5-dichloro-2-ethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;dihydrochloride
SMILESCCOc1c(Cl)cc(Cl)cc1CNCc1ccncc1.Cl.Cl
InChIInChI=1S/C15H16Cl2N2O.2ClH/c1-2-20-15-12(7-13(16)8-14(15)17)10-19-9-11-3-5-18-6-4-11;;/h3-8,19H,2,9-10H2,1H3;2*1H
InChIKeyOXCNTWVSLQGUAE-UHFFFAOYSA-N
XLogP4.92
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.13
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,5-dichloro-2-methoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride
CID 2996897
N-[[3,5-dichloro-2-(2-pyridin-4-ylethoxy)phenyl]methyl]ethanamine
CID 60893022
2-(4-chlorophenyl)-N-[(3,5-dichloro-2-ethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17208622
N-[(5-chloro-2-ethoxy-3-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine;dihydrochloride
CID 90485938
N-[(5-chloro-2-methoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride
CID 17331835
N-[(3,5-dichloro-2-ethoxyphenyl)methyl]heptan-1-amine
CID 4717568
2-[(3,5-dichloro-2-ethoxyphenyl)methylamino]acetic acid
CID 66527432
N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-2-methylpropan-2-amine
CID 4717180
3-butoxy-N-[(3,5-dichloro-2-ethoxyphenyl)methyl]propan-1-amine;hydrochloride
CID 17207804
N-[[3,5-dichloro-2-(pyridin-4-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 43515875
N-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-1-pyridin-4-ylmethanamine
CID 3162186
N-[[3,5-dichloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine
CID 43515745

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;dihydrochloride?
The IUPAC name of N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;dihydrochloride (CID 163328823) is N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;dihydrochloride.
What is the SMILES notation for N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;dihydrochloride?
The canonical SMILES for N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;dihydrochloride is CCOc1c(Cl)cc(Cl)cc1CNCc1ccncc1.Cl.Cl.
What is the InChIKey of N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;dihydrochloride?
The InChIKey is OXCNTWVSLQGUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O.2ClH/c1-2-20-15-12(7-13(16)8-14(15)17)10-19-9-11-3-5-18-6-4-11;;/h3-8,19H,2,9-10H2,1H3;2*1H.
What are the key properties of N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;dihydrochloride?
N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;dihydrochloride has a molecular weight of 384.13 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;dihydrochloride is sourced from PubChem (CID 163328823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).