N-[[3,5-dichloro-2-(2-propoxyethoxy)phenyl]methyl]propan-1-amine

C15H23Cl2NO2 — CID 106449939

IUPACN-[[3,5-dichloro-2-(2-propoxyethoxy)phenyl]methyl]propan-1-amine
SMILESCCCNCc1cc(Cl)cc(Cl)c1OCCOCCC
InChIInChI=1S/C15H23Cl2NO2/c1-3-5-18-11-12-9-13(16)10-14(17)15(12)20-8-7-19-6-4-2/h9-10,18H,3-8,11H2,1-2H3
InChIKeyYKFHTWWPGKBVRS-UHFFFAOYSA-N
MW320.26 g/mol
LogP4.30
Rot. Bonds10

About N-[[3,5-dichloro-2-(2-propoxyethoxy)phenyl]methyl]propan-1-amine

N-[[3,5-dichloro-2-(2-propoxyethoxy)phenyl]methyl]propan-1-amine (PubChem CID 106449939) has the molecular formula C15H23Cl2NO2 and a molecular weight of 320.26 g/mol. Its IUPAC name is N-[[3,5-dichloro-2-(2-propoxyethoxy)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3,5-dichloro-2-(2-propoxyethoxy)phenyl]methyl]propan-1-amine
PubChem CID106449939
Molecular FormulaC15H23Cl2NO2
Molecular Weight320.26 g/mol
Exact Mass319.11
IUPAC NameN-[[3,5-dichloro-2-(2-propoxyethoxy)phenyl]methyl]propan-1-amine
SMILESCCCNCc1cc(Cl)cc(Cl)c1OCCOCCC
InChIInChI=1S/C15H23Cl2NO2/c1-3-5-18-11-12-9-13(16)10-14(17)15(12)20-8-7-19-6-4-2/h9-10,18H,3-8,11H2,1-2H3
InChIKeyYKFHTWWPGKBVRS-UHFFFAOYSA-N
XLogP4.30
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.26
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3,5-dichloro-2-pentoxyphenyl)methyl]propan-1-amine
CID 43515784
N-[(3,5-dichloro-2-propoxyphenyl)methyl]-N',N'-diethylethane-1,2-diamine
CID 29241701
N-[[3,5-dichloro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]ethanamine
CID 103177633
3-butoxy-N-[(3,5-dichloro-2-ethoxyphenyl)methyl]propan-1-amine;hydrochloride
CID 17207804
N-[(2-but-2-enoxy-3,5-dichlorophenyl)methyl]propan-1-amine
CID 76997604
N-[[5-chloro-3-methoxy-2-(2-propoxyethoxy)phenyl]methyl]ethanamine
CID 106450715
N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]propan-1-amine
CID 35697832
N-[(3,5-dichloro-2-propoxyphenyl)methyl]-2-(4-fluorophenyl)ethanamine
CID 29225270
N-[(3,5-dichloro-2-ethoxyphenyl)methyl]heptan-1-amine
CID 4717568
N-[[3,5-dichloro-2-[(5-chlorothiophen-2-yl)methoxy]phenyl]methyl]propan-1-amine
CID 63499013
N-[(3,5-dichloro-2-propoxyphenyl)methyl]-2-(2-methoxyphenyl)ethanamine
CID 29225362
N-[[3,5-dibromo-4-(2-propoxyethoxy)phenyl]methyl]propan-1-amine
CID 107742570

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-dichloro-2-(2-propoxyethoxy)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[3,5-dichloro-2-(2-propoxyethoxy)phenyl]methyl]propan-1-amine (CID 106449939) is N-[[3,5-dichloro-2-(2-propoxyethoxy)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3,5-dichloro-2-(2-propoxyethoxy)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3,5-dichloro-2-(2-propoxyethoxy)phenyl]methyl]propan-1-amine is CCCNCc1cc(Cl)cc(Cl)c1OCCOCCC.
What is the InChIKey of N-[[3,5-dichloro-2-(2-propoxyethoxy)phenyl]methyl]propan-1-amine?
The InChIKey is YKFHTWWPGKBVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2NO2/c1-3-5-18-11-12-9-13(16)10-14(17)15(12)20-8-7-19-6-4-2/h9-10,18H,3-8,11H2,1-2H3.
What are the key properties of N-[[3,5-dichloro-2-(2-propoxyethoxy)phenyl]methyl]propan-1-amine?
N-[[3,5-dichloro-2-(2-propoxyethoxy)phenyl]methyl]propan-1-amine has a molecular weight of 320.26 g/mol, XLogP of 4.30, 10 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-propoxyethoxy)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 106449939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).