N-[[3,5-dichloro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]ethanamine

C15H23Cl2NO3 — CID 103177633

IUPACN-[[3,5-dichloro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]ethanamine
SMILESCCNCc1cc(Cl)cc(Cl)c1OCCOCCCOC
InChIInChI=1S/C15H23Cl2NO3/c1-3-18-11-12-9-13(16)10-14(17)15(12)21-8-7-20-6-4-5-19-2/h9-10,18H,3-8,11H2,1-2H3
InChIKeyUMDRRBFEXPPXEV-UHFFFAOYSA-N
MW336.26 g/mol
LogP3.53
Rot. Bonds11

About N-[[3,5-dichloro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]ethanamine

N-[[3,5-dichloro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]ethanamine (PubChem CID 103177633) has the molecular formula C15H23Cl2NO3 and a molecular weight of 336.26 g/mol. Its IUPAC name is N-[[3,5-dichloro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3,5-dichloro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]ethanamine
PubChem CID103177633
Molecular FormulaC15H23Cl2NO3
Molecular Weight336.26 g/mol
Exact Mass335.11
IUPAC NameN-[[3,5-dichloro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]ethanamine
SMILESCCNCc1cc(Cl)cc(Cl)c1OCCOCCCOC
InChIInChI=1S/C15H23Cl2NO3/c1-3-18-11-12-9-13(16)10-14(17)15(12)21-8-7-20-6-4-5-19-2/h9-10,18H,3-8,11H2,1-2H3
InChIKeyUMDRRBFEXPPXEV-UHFFFAOYSA-N
XLogP3.53
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.26
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[3,5-dichloro-2-(3-fluoropropoxy)phenyl]methyl]ethanamine
CID 81107142
N-[[3-chloro-2-[3-(2-methoxyethoxy)propoxy]phenyl]methyl]ethanamine
CID 103409133
N-[[3,5-dichloro-2-(2-propoxyethoxy)phenyl]methyl]propan-1-amine
CID 106449939
[3,5-dichloro-2-[3-(2-methoxyethoxy)propoxy]phenyl]methanamine
CID 103409014
N-[[3,5-dichloro-2-(3-ethylsulfonylpropoxy)phenyl]methyl]ethanamine
CID 65094121
N-[[5-bromo-2-[2-(3-methoxypropoxy)ethoxy]-3-methylphenyl]methyl]ethanamine
CID 103177966
N-[[5-chloro-3-methoxy-2-(2-propoxyethoxy)phenyl]methyl]ethanamine
CID 106450715
N-[[3,5-dichloro-2-(3,3,3-trifluoropropoxy)phenyl]methyl]ethanamine
CID 64552689
2-[2,4-dichloro-6-[(2-methoxyethylamino)methyl]phenoxy]ethanol
CID 63058152
N-[(3,5-dichloro-2-hept-6-enoxyphenyl)methyl]ethanamine
CID 107006108
3-butoxy-N-[(3,5-dichloro-2-ethoxyphenyl)methyl]propan-1-amine;hydrochloride
CID 17207804
N-[(3,5-dichloro-2-pentoxyphenyl)methyl]propan-1-amine
CID 43515784

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-dichloro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]ethanamine?
The IUPAC name of N-[[3,5-dichloro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]ethanamine (CID 103177633) is N-[[3,5-dichloro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3,5-dichloro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3,5-dichloro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]ethanamine is CCNCc1cc(Cl)cc(Cl)c1OCCOCCCOC.
What is the InChIKey of N-[[3,5-dichloro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]ethanamine?
The InChIKey is UMDRRBFEXPPXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2NO3/c1-3-18-11-12-9-13(16)10-14(17)15(12)21-8-7-20-6-4-5-19-2/h9-10,18H,3-8,11H2,1-2H3.
What are the key properties of N-[[3,5-dichloro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]ethanamine?
N-[[3,5-dichloro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]ethanamine has a molecular weight of 336.26 g/mol, XLogP of 3.53, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-dichloro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 103177633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).