N-[1-(4-methoxyphenyl)propyl]-2-methylbutan-2-amine

C15H25NO — CID 43824465

IUPACN-[1-(4-methoxyphenyl)propyl]-2-methylbutan-2-amine
SMILESCCC(NC(C)(C)CC)c1ccc(OC)cc1
InChIInChI=1S/C15H25NO/c1-6-14(16-15(3,4)7-2)12-8-10-13(17-5)11-9-12/h8-11,14,16H,6-7H2,1-5H3
InChIKeyRNUJDWFTIMVZJF-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.92
Rot. Bonds6

About N-[1-(4-methoxyphenyl)propyl]-2-methylbutan-2-amine

N-[1-(4-methoxyphenyl)propyl]-2-methylbutan-2-amine (PubChem CID 43824465) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)propyl]-2-methylbutan-2-amine.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)propyl]-2-methylbutan-2-amine
PubChem CID43824465
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-[1-(4-methoxyphenyl)propyl]-2-methylbutan-2-amine
SMILESCCC(NC(C)(C)CC)c1ccc(OC)cc1
InChIInChI=1S/C15H25NO/c1-6-14(16-15(3,4)7-2)12-8-10-13(17-5)11-9-12/h8-11,14,16H,6-7H2,1-5H3
InChIKeyRNUJDWFTIMVZJF-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-methoxyphenyl)propyl]butan-2-amine
CID 43190279
2-amino-N-[1-(4-methoxyphenyl)propyl]-2-methylpropanamide
CID 61266584
N-(2-methoxyethyl)-1-(4-methoxyphenyl)propan-1-amine
CID 43177275
N-[1-(4-methoxyphenyl)propyl]-2,6-dimethylheptan-4-amine
CID 43720355
N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 10774699
(2S)-2-[1-(4-methoxyphenyl)propylamino]propan-1-ol
CID 103789006
2,2,2-trifluoro-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 62733543
N-[1-(4-methoxyphenyl)propyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79352429
1-[1-(4-methoxyphenyl)propylamino]propan-2-ol
CID 43499339
N-(cyclopropylmethyl)-1-(4-methoxyphenyl)propan-1-amine
CID 43190722
1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-1-amine
CID 43823991
[(1R)-1-(4-methoxyphenyl)propyl]azanium
CID 2496559

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)propyl]-2-methylbutan-2-amine?
The IUPAC name of N-[1-(4-methoxyphenyl)propyl]-2-methylbutan-2-amine (CID 43824465) is N-[1-(4-methoxyphenyl)propyl]-2-methylbutan-2-amine.
What is the SMILES notation for N-[1-(4-methoxyphenyl)propyl]-2-methylbutan-2-amine?
The canonical SMILES for N-[1-(4-methoxyphenyl)propyl]-2-methylbutan-2-amine is CCC(NC(C)(C)CC)c1ccc(OC)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)propyl]-2-methylbutan-2-amine?
The InChIKey is RNUJDWFTIMVZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-6-14(16-15(3,4)7-2)12-8-10-13(17-5)11-9-12/h8-11,14,16H,6-7H2,1-5H3.
What are the key properties of N-[1-(4-methoxyphenyl)propyl]-2-methylbutan-2-amine?
N-[1-(4-methoxyphenyl)propyl]-2-methylbutan-2-amine has a molecular weight of 235.37 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)propyl]-2-methylbutan-2-amine is sourced from PubChem (CID 43824465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).