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

C14H21Cl2NO — CID 63498433

IUPACN-tert-butyl-2-(3,5-dichlorophenoxy)butan-1-amine
SMILESCCC(CNC(C)(C)C)Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H21Cl2NO/c1-5-12(9-17-14(2,3)4)18-13-7-10(15)6-11(16)8-13/h6-8,12,17H,5,9H2,1-4H3
InChIKeyHSHLAQGTVPGTPV-UHFFFAOYSA-N
MW290.23 g/mol
LogP4.54
Rot. Bonds5

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

N-tert-butyl-2-(3,5-dichlorophenoxy)butan-1-amine (PubChem CID 63498433) has the molecular formula C14H21Cl2NO and a molecular weight of 290.23 g/mol. Its IUPAC name is N-tert-butyl-2-(3,5-dichlorophenoxy)butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(3,5-dichlorophenoxy)butan-1-amine
PubChem CID63498433
Molecular FormulaC14H21Cl2NO
Molecular Weight290.23 g/mol
Exact Mass289.10
IUPAC NameN-tert-butyl-2-(3,5-dichlorophenoxy)butan-1-amine
SMILESCCC(CNC(C)(C)C)Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H21Cl2NO/c1-5-12(9-17-14(2,3)4)18-13-7-10(15)6-11(16)8-13/h6-8,12,17H,5,9H2,1-4H3
InChIKeyHSHLAQGTVPGTPV-UHFFFAOYSA-N
XLogP4.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2-(3,5-dichlorophenoxy)pentan-1-amine
CID 83044887
N-tert-butyl-2-(3-chlorophenoxy)butan-1-amine
CID 62460087
2-(3,5-dichlorophenoxy)-N-ethylbutan-1-amine
CID 62485923
N-tert-butyl-2-(2,4-dichlorophenoxy)butan-1-amine
CID 63497352
N-tert-butyl-2-(3-fluoro-4-methylphenoxy)butan-1-amine
CID 107170874
1-chloro-3-fluoro-5-pentan-3-yloxybenzene
CID 166779713
2-(5-bromo-2-methylphenoxy)-N-tert-butylbutan-1-amine
CID 107285816
4-(3,5-dichlorophenoxy)-5,5-dimethylhexan-3-amine
CID 63459397
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-(2-propoxyphenoxy)butan-1-amine
CID 62451264
N-tert-butyl-4-(3,5-dichlorophenoxy)butan-1-amine
CID 62485378

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(3,5-dichlorophenoxy)butan-1-amine?
The IUPAC name of N-tert-butyl-2-(3,5-dichlorophenoxy)butan-1-amine (CID 63498433) is N-tert-butyl-2-(3,5-dichlorophenoxy)butan-1-amine.
What is the SMILES notation for N-tert-butyl-2-(3,5-dichlorophenoxy)butan-1-amine?
The canonical SMILES for N-tert-butyl-2-(3,5-dichlorophenoxy)butan-1-amine is CCC(CNC(C)(C)C)Oc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-tert-butyl-2-(3,5-dichlorophenoxy)butan-1-amine?
The InChIKey is HSHLAQGTVPGTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2NO/c1-5-12(9-17-14(2,3)4)18-13-7-10(15)6-11(16)8-13/h6-8,12,17H,5,9H2,1-4H3.
What are the key properties of N-tert-butyl-2-(3,5-dichlorophenoxy)butan-1-amine?
N-tert-butyl-2-(3,5-dichlorophenoxy)butan-1-amine has a molecular weight of 290.23 g/mol, XLogP of 4.54, 5 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)butan-1-amine is sourced from PubChem (CID 63498433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).