N-[2-(3,4-dichlorophenoxy)ethyl]-2-methylpropan-1-amine

C12H17Cl2NO — CID 62484692

IUPACN-[2-(3,4-dichlorophenoxy)ethyl]-2-methylpropan-1-amine
SMILESCC(C)CNCCOc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H17Cl2NO/c1-9(2)8-15-5-6-16-10-3-4-11(13)12(14)7-10/h3-4,7,9,15H,5-6,8H2,1-2H3
InChIKeyJQGBLOLWCNBWLR-UHFFFAOYSA-N
MW262.18 g/mol
LogP3.62
Rot. Bonds6

About N-[2-(3,4-dichlorophenoxy)ethyl]-2-methylpropan-1-amine

N-[2-(3,4-dichlorophenoxy)ethyl]-2-methylpropan-1-amine (PubChem CID 62484692) has the molecular formula C12H17Cl2NO and a molecular weight of 262.18 g/mol. Its IUPAC name is N-[2-(3,4-dichlorophenoxy)ethyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(3,4-dichlorophenoxy)ethyl]-2-methylpropan-1-amine
PubChem CID62484692
Molecular FormulaC12H17Cl2NO
Molecular Weight262.18 g/mol
Exact Mass261.07
IUPAC NameN-[2-(3,4-dichlorophenoxy)ethyl]-2-methylpropan-1-amine
SMILESCC(C)CNCCOc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H17Cl2NO/c1-9(2)8-15-5-6-16-10-3-4-11(13)12(14)7-10/h3-4,7,9,15H,5-6,8H2,1-2H3
InChIKeyJQGBLOLWCNBWLR-UHFFFAOYSA-N
XLogP3.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.18
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(3,4-dichlorophenoxy)propyl]-2-methylpropan-1-amine
CID 62484864
N-[2-(4-chloro-3-fluorophenoxy)ethyl]-2-methylpropan-1-amine
CID 82727666
2-(3,4-dichlorophenoxy)-N-ethylethanamine
CID 6457952
N-[2-(3,4-dichlorophenoxy)ethyl]-3-methoxypropan-1-amine
CID 2581257
N-[2-(4-bromo-3-methylphenoxy)ethyl]-2-methylpropan-1-amine
CID 83140093
N-[2-(4-fluorophenoxy)ethyl]-2-methylpropan-1-amine
CID 60685910
4-(3,4-dichlorophenoxy)-N-propan-2-ylbutan-1-amine
CID 2298232
N'-[2-(3,4-dichlorophenoxy)ethyl]propane-1,3-diamine
CID 2977619
5-(3,4-dichlorophenoxy)-N-propan-2-ylpentan-1-amine
CID 62485763
N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-2-methylpropan-1-amine
CID 115876782
N-[(3-chloro-4-methylphenyl)methyl]-2-(3,4-dichlorophenoxy)ethanamine
CID 67864198
N-[[5-[(3,4-dichlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
CID 63496490

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichlorophenoxy)ethyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-(3,4-dichlorophenoxy)ethyl]-2-methylpropan-1-amine (CID 62484692) is N-[2-(3,4-dichlorophenoxy)ethyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-(3,4-dichlorophenoxy)ethyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-(3,4-dichlorophenoxy)ethyl]-2-methylpropan-1-amine is CC(C)CNCCOc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[2-(3,4-dichlorophenoxy)ethyl]-2-methylpropan-1-amine?
The InChIKey is JQGBLOLWCNBWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NO/c1-9(2)8-15-5-6-16-10-3-4-11(13)12(14)7-10/h3-4,7,9,15H,5-6,8H2,1-2H3.
What are the key properties of N-[2-(3,4-dichlorophenoxy)ethyl]-2-methylpropan-1-amine?
N-[2-(3,4-dichlorophenoxy)ethyl]-2-methylpropan-1-amine has a molecular weight of 262.18 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichlorophenoxy)ethyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62484692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).