N-tert-butyl-2-(3,4-dimethylphenoxy)pentan-1-amine

C17H29NO — CID 83045946

IUPACN-tert-butyl-2-(3,4-dimethylphenoxy)pentan-1-amine
SMILESCCCC(CNC(C)(C)C)Oc1ccc(C)c(C)c1
InChIInChI=1S/C17H29NO/c1-7-8-16(12-18-17(4,5)6)19-15-10-9-13(2)14(3)11-15/h9-11,16,18H,7-8,12H2,1-6H3
InChIKeyQXFBZHVRJZTTNF-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.24
Rot. Bonds6

About N-tert-butyl-2-(3,4-dimethylphenoxy)pentan-1-amine

N-tert-butyl-2-(3,4-dimethylphenoxy)pentan-1-amine (PubChem CID 83045946) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is N-tert-butyl-2-(3,4-dimethylphenoxy)pentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(3,4-dimethylphenoxy)pentan-1-amine
PubChem CID83045946
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC NameN-tert-butyl-2-(3,4-dimethylphenoxy)pentan-1-amine
SMILESCCCC(CNC(C)(C)C)Oc1ccc(C)c(C)c1
InChIInChI=1S/C17H29NO/c1-7-8-16(12-18-17(4,5)6)19-15-10-9-13(2)14(3)11-15/h9-11,16,18H,7-8,12H2,1-6H3
InChIKeyQXFBZHVRJZTTNF-UHFFFAOYSA-N
XLogP4.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-tert-butyl-2-(3,4-dimethylphenoxy)pentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-tert-butyl-2-phenoxypentan-1-amine
CID 83043967
N-tert-butyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentan-1-amine
CID 83048915
N-tert-butyl-2-(3-iodophenoxy)pentan-1-amine
CID 83044883
N-tert-butyl-2-(3,5-dichlorophenoxy)pentan-1-amine
CID 83044887
N-tert-butyl-2-(3-fluoro-4-methylphenoxy)butan-1-amine
CID 107170874
N-tert-butyl-2-(4-butylphenoxy)pentan-1-amine
CID 83049497
N-[2-(3-fluoro-4-methylphenoxy)-3-methoxypropyl]-2-methylpropan-2-amine
CID 107170842
2-(2-bromo-4-methylphenoxy)-N-tert-butylpentan-1-amine
CID 83043988
N-tert-butyl-2-quinolin-3-yloxypentan-1-amine
CID 107387870
2-(4-chloro-3-methylphenoxy)-N-propan-2-ylpentan-1-amine
CID 83043937
N-tert-butyl-2-(2-ethoxyphenoxy)pentan-1-amine
CID 83046479
2-(3-fluoro-4-methylphenoxy)-N-(2-methylpropyl)pentan-1-amine
CID 107170893

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(3,4-dimethylphenoxy)pentan-1-amine?
The IUPAC name of N-tert-butyl-2-(3,4-dimethylphenoxy)pentan-1-amine (CID 83045946) is N-tert-butyl-2-(3,4-dimethylphenoxy)pentan-1-amine.
What is the SMILES notation for N-tert-butyl-2-(3,4-dimethylphenoxy)pentan-1-amine?
The canonical SMILES for N-tert-butyl-2-(3,4-dimethylphenoxy)pentan-1-amine is CCCC(CNC(C)(C)C)Oc1ccc(C)c(C)c1.
What is the InChIKey of N-tert-butyl-2-(3,4-dimethylphenoxy)pentan-1-amine?
The InChIKey is QXFBZHVRJZTTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-7-8-16(12-18-17(4,5)6)19-15-10-9-13(2)14(3)11-15/h9-11,16,18H,7-8,12H2,1-6H3.
What are the key properties of N-tert-butyl-2-(3,4-dimethylphenoxy)pentan-1-amine?
N-tert-butyl-2-(3,4-dimethylphenoxy)pentan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 4.24, 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-(3,4-dimethylphenoxy)pentan-1-amine is sourced from PubChem (CID 83045946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).