1-(4-ethoxyphenyl)-2-methylbutan-1-amine

C13H21NO — CID 12771706

IUPAC1-(4-ethoxyphenyl)-2-methylbutan-1-amine
SMILESCCOc1ccc(C(N)C(C)CC)cc1
InChIInChI=1S/C13H21NO/c1-4-10(3)13(14)11-6-8-12(9-7-11)15-5-2/h6-10,13H,4-5,14H2,1-3H3
InChIKeyUTDIOMMFJYWMKI-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.13
Rot. Bonds5

About 1-(4-ethoxyphenyl)-2-methylbutan-1-amine

1-(4-ethoxyphenyl)-2-methylbutan-1-amine (PubChem CID 12771706) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-2-methylbutan-1-amine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-2-methylbutan-1-amine
PubChem CID12771706
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-(4-ethoxyphenyl)-2-methylbutan-1-amine
SMILESCCOc1ccc(C(N)C(C)CC)cc1
InChIInChI=1S/C13H21NO/c1-4-10(3)13(14)11-6-8-12(9-7-11)15-5-2/h6-10,13H,4-5,14H2,1-3H3
InChIKeyUTDIOMMFJYWMKI-UHFFFAOYSA-N
XLogP3.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(4-methoxyphenyl)-2-methylbutan-1-amine
CID 171200898
(1S,2R)-1-amino-1-(4-ethoxyphenyl)propan-2-ol;hydrochloride
CID 171266991
2-(4-ethoxyphenyl)pentan-3-amine
CID 79308575
1-(3-ethoxyphenyl)-2-methylbutan-1-amine
CID 79444348
2-cyclopropyl-1-(4-ethoxyphenyl)propan-1-amine
CID 83153985
1-(1-bromo-2-methylbutyl)-4-ethoxybenzene
CID 63436936
(1R)-1-(4-bromophenyl)-2-methylbutan-1-amine
CID 131011695
amino-(4-ethoxyphenyl)methanol
CID 116939610
(1R)-1-(4-fluorophenyl)-2-methylbutan-1-amine
CID 131025596
(1R)-1-(4-ethylphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171211240
ethyl 2-(4-ethoxyphenyl)propanoate
CID 105479148
2-methyl-1-[4-(2-methylpropoxy)phenyl]pentan-1-amine
CID 107886407

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-2-methylbutan-1-amine?
The IUPAC name of 1-(4-ethoxyphenyl)-2-methylbutan-1-amine (CID 12771706) is 1-(4-ethoxyphenyl)-2-methylbutan-1-amine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-2-methylbutan-1-amine?
The canonical SMILES for 1-(4-ethoxyphenyl)-2-methylbutan-1-amine is CCOc1ccc(C(N)C(C)CC)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-2-methylbutan-1-amine?
The InChIKey is UTDIOMMFJYWMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-10(3)13(14)11-6-8-12(9-7-11)15-5-2/h6-10,13H,4-5,14H2,1-3H3.
What are the key properties of 1-(4-ethoxyphenyl)-2-methylbutan-1-amine?
1-(4-ethoxyphenyl)-2-methylbutan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-2-methylbutan-1-amine is sourced from PubChem (CID 12771706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).