N-[[3,5-dichloro-2-(2-pyridin-4-ylethoxy)phenyl]methyl]ethanamine

C16H18Cl2N2O — CID 60893022

IUPACN-[[3,5-dichloro-2-(2-pyridin-4-ylethoxy)phenyl]methyl]ethanamine
SMILESCCNCc1cc(Cl)cc(Cl)c1OCCc1ccncc1
InChIInChI=1S/C16H18Cl2N2O/c1-2-19-11-13-9-14(17)10-15(18)16(13)21-8-5-12-3-6-20-7-4-12/h3-4,6-7,9-10,19H,2,5,8,11H2,1H3
InChIKeyXWFYFVLPYZMQIZ-UHFFFAOYSA-N
MW325.24 g/mol
LogP4.12
Rot. Bonds7

About N-[[3,5-dichloro-2-(2-pyridin-4-ylethoxy)phenyl]methyl]ethanamine

N-[[3,5-dichloro-2-(2-pyridin-4-ylethoxy)phenyl]methyl]ethanamine (PubChem CID 60893022) has the molecular formula C16H18Cl2N2O and a molecular weight of 325.24 g/mol. Its IUPAC name is N-[[3,5-dichloro-2-(2-pyridin-4-ylethoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3,5-dichloro-2-(2-pyridin-4-ylethoxy)phenyl]methyl]ethanamine
PubChem CID60893022
Molecular FormulaC16H18Cl2N2O
Molecular Weight325.24 g/mol
Exact Mass324.08
IUPAC NameN-[[3,5-dichloro-2-(2-pyridin-4-ylethoxy)phenyl]methyl]ethanamine
SMILESCCNCc1cc(Cl)cc(Cl)c1OCCc1ccncc1
InChIInChI=1S/C16H18Cl2N2O/c1-2-19-11-13-9-14(17)10-15(18)16(13)21-8-5-12-3-6-20-7-4-12/h3-4,6-7,9-10,19H,2,5,8,11H2,1H3
InChIKeyXWFYFVLPYZMQIZ-UHFFFAOYSA-N
XLogP4.12
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.24
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;dihydrochloride
CID 163328823
N-[[3,5-dichloro-2-(3-fluoropropoxy)phenyl]methyl]ethanamine
CID 81107142
N-[[3,5-dichloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine
CID 43515745
N-[[3,5-dichloro-2-(3,3,3-trifluoropropoxy)phenyl]methyl]ethanamine
CID 64552689
N-[(3,5-dichloro-2-methoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride
CID 2996897
N-[(3,5-dichloro-2-propoxyphenyl)methyl]-2-(4-fluorophenyl)ethanamine
CID 29225270
N-[[3,5-dichloro-2-(3-ethylsulfonylpropoxy)phenyl]methyl]ethanamine
CID 65094121
N-[[2-(2-pyridin-4-ylethoxy)phenyl]methyl]ethanamine
CID 60892643
N-[[3-chloro-2-(2-phenylethoxy)phenyl]methyl]ethanamine
CID 115952890
N-[[3,5-dichloro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]ethanamine
CID 103177633
N-[(3,5-dichloro-2-hept-6-enoxyphenyl)methyl]ethanamine
CID 107006108
N-[[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]methyl]ethanamine
CID 54939665

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-dichloro-2-(2-pyridin-4-ylethoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[3,5-dichloro-2-(2-pyridin-4-ylethoxy)phenyl]methyl]ethanamine (CID 60893022) is N-[[3,5-dichloro-2-(2-pyridin-4-ylethoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3,5-dichloro-2-(2-pyridin-4-ylethoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3,5-dichloro-2-(2-pyridin-4-ylethoxy)phenyl]methyl]ethanamine is CCNCc1cc(Cl)cc(Cl)c1OCCc1ccncc1.
What is the InChIKey of N-[[3,5-dichloro-2-(2-pyridin-4-ylethoxy)phenyl]methyl]ethanamine?
The InChIKey is XWFYFVLPYZMQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2O/c1-2-19-11-13-9-14(17)10-15(18)16(13)21-8-5-12-3-6-20-7-4-12/h3-4,6-7,9-10,19H,2,5,8,11H2,1H3.
What are the key properties of N-[[3,5-dichloro-2-(2-pyridin-4-ylethoxy)phenyl]methyl]ethanamine?
N-[[3,5-dichloro-2-(2-pyridin-4-ylethoxy)phenyl]methyl]ethanamine has a molecular weight of 325.24 g/mol, XLogP of 4.12, 7 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-(2-pyridin-4-ylethoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 60893022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).