N-tert-butyl-2-(3,5-dichlorophenoxy)pentan-1-amine

C15H23Cl2NO — CID 83044887

IUPACN-tert-butyl-2-(3,5-dichlorophenoxy)pentan-1-amine
SMILESCCCC(CNC(C)(C)C)Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H23Cl2NO/c1-5-6-13(10-18-15(2,3)4)19-14-8-11(16)7-12(17)9-14/h7-9,13,18H,5-6,10H2,1-4H3
InChIKeySPDPZLNHEOWCHZ-UHFFFAOYSA-N
MW304.26 g/mol
LogP4.93
Rot. Bonds6

About N-tert-butyl-2-(3,5-dichlorophenoxy)pentan-1-amine

N-tert-butyl-2-(3,5-dichlorophenoxy)pentan-1-amine (PubChem CID 83044887) has the molecular formula C15H23Cl2NO and a molecular weight of 304.26 g/mol. Its IUPAC name is N-tert-butyl-2-(3,5-dichlorophenoxy)pentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(3,5-dichlorophenoxy)pentan-1-amine
PubChem CID83044887
Molecular FormulaC15H23Cl2NO
Molecular Weight304.26 g/mol
Exact Mass303.12
IUPAC NameN-tert-butyl-2-(3,5-dichlorophenoxy)pentan-1-amine
SMILESCCCC(CNC(C)(C)C)Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H23Cl2NO/c1-5-6-13(10-18-15(2,3)4)19-14-8-11(16)7-12(17)9-14/h7-9,13,18H,5-6,10H2,1-4H3
InChIKeySPDPZLNHEOWCHZ-UHFFFAOYSA-N
XLogP4.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.26
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2-(3,5-dichlorophenoxy)butan-1-amine
CID 63498433
N-tert-butyl-2-phenoxypentan-1-amine
CID 83043967
N-tert-butyl-2-(3,4-dimethylphenoxy)pentan-1-amine
CID 83045946
N-tert-butyl-2-(3-iodophenoxy)pentan-1-amine
CID 83044883
N-tert-butyl-2-(3-chlorophenoxy)butan-1-amine
CID 62460087
N-tert-butyl-2-(4-butylphenoxy)pentan-1-amine
CID 83049497
N-tert-butyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentan-1-amine
CID 83048915
N-tert-butyl-2-(2-ethoxyphenoxy)pentan-1-amine
CID 83046479
N-tert-butyl-2-quinolin-3-yloxypentan-1-amine
CID 107387870
2-(3,5-dichlorophenoxy)-N-ethylbutan-1-amine
CID 62485923
2-(2-bromo-4-methylphenoxy)-N-tert-butylpentan-1-amine
CID 83043988
2-(4-chloro-3,5-dimethylphenoxy)-N-ethylpentan-1-amine
CID 83046354

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(3,5-dichlorophenoxy)pentan-1-amine?
The IUPAC name of N-tert-butyl-2-(3,5-dichlorophenoxy)pentan-1-amine (CID 83044887) is N-tert-butyl-2-(3,5-dichlorophenoxy)pentan-1-amine.
What is the SMILES notation for N-tert-butyl-2-(3,5-dichlorophenoxy)pentan-1-amine?
The canonical SMILES for N-tert-butyl-2-(3,5-dichlorophenoxy)pentan-1-amine is CCCC(CNC(C)(C)C)Oc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-tert-butyl-2-(3,5-dichlorophenoxy)pentan-1-amine?
The InChIKey is SPDPZLNHEOWCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2NO/c1-5-6-13(10-18-15(2,3)4)19-14-8-11(16)7-12(17)9-14/h7-9,13,18H,5-6,10H2,1-4H3.
What are the key properties of N-tert-butyl-2-(3,5-dichlorophenoxy)pentan-1-amine?
N-tert-butyl-2-(3,5-dichlorophenoxy)pentan-1-amine has a molecular weight of 304.26 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(3,5-dichlorophenoxy)pentan-1-amine is sourced from PubChem (CID 83044887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).