N-[1-(4-ethoxyphenyl)ethyl]-2-methylbutan-1-amine

C15H25NO — CID 43734730

IUPACN-[1-(4-ethoxyphenyl)ethyl]-2-methylbutan-1-amine
SMILESCCOc1ccc(C(C)NCC(C)CC)cc1
InChIInChI=1S/C15H25NO/c1-5-12(3)11-16-13(4)14-7-9-15(10-8-14)17-6-2/h7-10,12-13,16H,5-6,11H2,1-4H3
InChIKeyAFPQVHRXLCGQOE-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.78
Rot. Bonds7

About N-[1-(4-ethoxyphenyl)ethyl]-2-methylbutan-1-amine

N-[1-(4-ethoxyphenyl)ethyl]-2-methylbutan-1-amine (PubChem CID 43734730) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[1-(4-ethoxyphenyl)ethyl]-2-methylbutan-1-amine.

Molecular Properties

Compound NameN-[1-(4-ethoxyphenyl)ethyl]-2-methylbutan-1-amine
PubChem CID43734730
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-[1-(4-ethoxyphenyl)ethyl]-2-methylbutan-1-amine
SMILESCCOc1ccc(C(C)NCC(C)CC)cc1
InChIInChI=1S/C15H25NO/c1-5-12(3)11-16-13(4)14-7-9-15(10-8-14)17-6-2/h7-10,12-13,16H,5-6,11H2,1-4H3
InChIKeyAFPQVHRXLCGQOE-UHFFFAOYSA-N
XLogP3.78
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 ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylbutan-1-amine
CID 81370465
2-[[(1S)-1-(4-ethoxyphenyl)ethyl]amino]ethanol
CID 7446829
N-[1-(4-ethoxyphenyl)ethyl]-4-methylpentan-1-amine
CID 54914008
2-methyl-N-(1-pyridin-4-ylethyl)butan-1-amine
CID 43202297
N-[1-(4-butylphenyl)ethyl]-2-methylbutan-1-amine
CID 63477867
N-[(1S)-1-(4-butoxyphenyl)ethyl]-2-methylpropan-1-amine
CID 100558104
N-[1-(4-ethoxyphenyl)ethyl]-2-methylpentan-3-amine
CID 43788964
1-(4-ethoxyphenyl)-N-(2-ethylsulfonylethyl)ethanamine
CID 103710433
(1S)-N-[(5-chlorofuran-2-yl)methyl]-1-(4-ethoxyphenyl)ethanamine
CID 93317247
3-[1-(4-ethoxyphenyl)ethylamino]-N,N-diethylpropanamide
CID 60926168
2-[1-(4-ethoxyphenyl)ethylamino]-N-methylacetamide
CID 43215162
1-(4-ethoxyphenyl)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine
CID 62345553

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxyphenyl)ethyl]-2-methylbutan-1-amine?
The IUPAC name of N-[1-(4-ethoxyphenyl)ethyl]-2-methylbutan-1-amine (CID 43734730) is N-[1-(4-ethoxyphenyl)ethyl]-2-methylbutan-1-amine.
What is the SMILES notation for N-[1-(4-ethoxyphenyl)ethyl]-2-methylbutan-1-amine?
The canonical SMILES for N-[1-(4-ethoxyphenyl)ethyl]-2-methylbutan-1-amine is CCOc1ccc(C(C)NCC(C)CC)cc1.
What is the InChIKey of N-[1-(4-ethoxyphenyl)ethyl]-2-methylbutan-1-amine?
The InChIKey is AFPQVHRXLCGQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-12(3)11-16-13(4)14-7-9-15(10-8-14)17-6-2/h7-10,12-13,16H,5-6,11H2,1-4H3.
What are the key properties of N-[1-(4-ethoxyphenyl)ethyl]-2-methylbutan-1-amine?
N-[1-(4-ethoxyphenyl)ethyl]-2-methylbutan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethoxyphenyl)ethyl]-2-methylbutan-1-amine is sourced from PubChem (CID 43734730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).