N-tert-butyl-2-phenoxypentan-1-amine

C15H25NO — CID 83043967

IUPACN-tert-butyl-2-phenoxypentan-1-amine
SMILESCCCC(CNC(C)(C)C)Oc1ccccc1
InChIInChI=1S/C15H25NO/c1-5-9-14(12-16-15(2,3)4)17-13-10-7-6-8-11-13/h6-8,10-11,14,16H,5,9,12H2,1-4H3
InChIKeyATAURFCXAWYRCF-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.62
Rot. Bonds6

About N-tert-butyl-2-phenoxypentan-1-amine

N-tert-butyl-2-phenoxypentan-1-amine (PubChem CID 83043967) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-tert-butyl-2-phenoxypentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-phenoxypentan-1-amine
PubChem CID83043967
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-tert-butyl-2-phenoxypentan-1-amine
SMILESCCCC(CNC(C)(C)C)Oc1ccccc1
InChIInChI=1S/C15H25NO/c1-5-9-14(12-16-15(2,3)4)17-13-10-7-6-8-11-13/h6-8,10-11,14,16H,5,9,12H2,1-4H3
InChIKeyATAURFCXAWYRCF-UHFFFAOYSA-N
XLogP3.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2-(3-iodophenoxy)pentan-1-amine
CID 83044883
N-tert-butyl-2-(4-butylphenoxy)pentan-1-amine
CID 83049497
N-(3-methoxy-2-phenoxypropyl)-2-methylpropan-2-amine
CID 103228281
N-tert-butyl-2-(3,4-dimethylphenoxy)pentan-1-amine
CID 83045946
N-tert-butyl-2-(2-ethoxyphenoxy)pentan-1-amine
CID 83046479
N-tert-butyl-2-(3,5-dichlorophenoxy)pentan-1-amine
CID 83044887
N-tert-butyl-2-quinolin-3-yloxypentan-1-amine
CID 107387870
N-tert-butyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentan-1-amine
CID 83048915
2-(2-bromo-4-methylphenoxy)-N-tert-butylpentan-1-amine
CID 83043988
N-tert-butyl-2-(3-chlorophenoxy)butan-1-amine
CID 62460087
2-(4-tert-butylphenoxy)-N-propan-2-ylpentan-1-amine
CID 83046661
undecan-6-yloxybenzene
CID 130316504

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-phenoxypentan-1-amine?
The IUPAC name of N-tert-butyl-2-phenoxypentan-1-amine (CID 83043967) is N-tert-butyl-2-phenoxypentan-1-amine.
What is the SMILES notation for N-tert-butyl-2-phenoxypentan-1-amine?
The canonical SMILES for N-tert-butyl-2-phenoxypentan-1-amine is CCCC(CNC(C)(C)C)Oc1ccccc1.
What is the InChIKey of N-tert-butyl-2-phenoxypentan-1-amine?
The InChIKey is ATAURFCXAWYRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-9-14(12-16-15(2,3)4)17-13-10-7-6-8-11-13/h6-8,10-11,14,16H,5,9,12H2,1-4H3.
What are the key properties of N-tert-butyl-2-phenoxypentan-1-amine?
N-tert-butyl-2-phenoxypentan-1-amine has a molecular weight of 235.37 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-tert-butyl-2-phenoxypentan-1-amine is sourced from PubChem (CID 83043967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).