N-methyl-1-(3-propan-2-ylphenoxy)pentan-2-amine

C15H25NO — CID 62041686

IUPACN-methyl-1-(3-propan-2-ylphenoxy)pentan-2-amine
SMILESCCCC(COc1cccc(C(C)C)c1)NC
InChIInChI=1S/C15H25NO/c1-5-7-14(16-4)11-17-15-9-6-8-13(10-15)12(2)3/h6,8-10,12,14,16H,5,7,11H2,1-4H3
InChIKeyIYHRVHYTJRYEOV-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.58
Rot. Bonds7

About N-methyl-1-(3-propan-2-ylphenoxy)pentan-2-amine

N-methyl-1-(3-propan-2-ylphenoxy)pentan-2-amine (PubChem CID 62041686) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-methyl-1-(3-propan-2-ylphenoxy)pentan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(3-propan-2-ylphenoxy)pentan-2-amine
PubChem CID62041686
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-methyl-1-(3-propan-2-ylphenoxy)pentan-2-amine
SMILESCCCC(COc1cccc(C(C)C)c1)NC
InChIInChI=1S/C15H25NO/c1-5-7-14(16-4)11-17-15-9-6-8-13(10-15)12(2)3/h6,8-10,12,14,16H,5,7,11H2,1-4H3
InChIKeyIYHRVHYTJRYEOV-UHFFFAOYSA-N
XLogP3.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylpropoxy)-3-propan-2-ylbenzene
CID 23399142
ethane;1-(2-methylpropoxy)-3-propan-2-ylbenzene
CID 142361256
N-methyl-1-(4-phenoxyphenoxy)pentan-2-amine
CID 63474716
1-(3-propan-2-ylphenoxy)butan-2-amine
CID 62039542
1-(2,3-difluorophenoxy)-N-methylpentan-2-amine
CID 63038671
1-propan-2-yl-3-[3-(3-propan-2-ylphenoxy)propoxy]benzene
CID 2426201
1-(2,3-dihydro-1H-inden-5-yloxy)-N-methylpentan-2-amine
CID 62043866
N-[1-cyclopropyl-2-(3-propan-2-ylphenoxy)ethyl]propan-1-amine
CID 63914018
N-methyl-1-(4-propylphenoxy)pentan-2-amine
CID 62548560
N-methyl-1-(3-propoxyphenyl)ethanamine
CID 43279892
N-methyl-1-(3-methylphenoxy)butan-2-amine
CID 62038283
N-methyl-1-phenoxynonan-2-amine
CID 63416660

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-propan-2-ylphenoxy)pentan-2-amine?
The IUPAC name of N-methyl-1-(3-propan-2-ylphenoxy)pentan-2-amine (CID 62041686) is N-methyl-1-(3-propan-2-ylphenoxy)pentan-2-amine.
What is the SMILES notation for N-methyl-1-(3-propan-2-ylphenoxy)pentan-2-amine?
The canonical SMILES for N-methyl-1-(3-propan-2-ylphenoxy)pentan-2-amine is CCCC(COc1cccc(C(C)C)c1)NC.
What is the InChIKey of N-methyl-1-(3-propan-2-ylphenoxy)pentan-2-amine?
The InChIKey is IYHRVHYTJRYEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-7-14(16-4)11-17-15-9-6-8-13(10-15)12(2)3/h6,8-10,12,14,16H,5,7,11H2,1-4H3.
What are the key properties of N-methyl-1-(3-propan-2-ylphenoxy)pentan-2-amine?
N-methyl-1-(3-propan-2-ylphenoxy)pentan-2-amine has a molecular weight of 235.37 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-propan-2-ylphenoxy)pentan-2-amine is sourced from PubChem (CID 62041686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).