1-(4-ethoxy-2-methylphenyl)butan-2-amine

C13H21NO — CID 13209708

IUPAC1-(4-ethoxy-2-methylphenyl)butan-2-amine
SMILESCCOc1ccc(CC(N)CC)c(C)c1
InChIInChI=1S/C13H21NO/c1-4-12(14)9-11-6-7-13(15-5-2)8-10(11)3/h6-8,12H,4-5,9,14H2,1-3H3
InChIKeyPQEZCZRQYYUOHT-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.67
Rot. Bonds5

About 1-(4-ethoxy-2-methylphenyl)butan-2-amine

1-(4-ethoxy-2-methylphenyl)butan-2-amine (PubChem CID 13209708) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(4-ethoxy-2-methylphenyl)butan-2-amine.

Molecular Properties

Compound Name1-(4-ethoxy-2-methylphenyl)butan-2-amine
PubChem CID13209708
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-(4-ethoxy-2-methylphenyl)butan-2-amine
SMILESCCOc1ccc(CC(N)CC)c(C)c1
InChIInChI=1S/C13H21NO/c1-4-12(14)9-11-6-7-13(15-5-2)8-10(11)3/h6-8,12H,4-5,9,14H2,1-3H3
InChIKeyPQEZCZRQYYUOHT-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(cyclopropylmethoxy)-2-methylphenyl]butan-2-amine;hydrochloride
CID 170890309
1-[4-(4-chlorophenoxy)-2-methylphenyl]butan-2-amine
CID 63802763
1-[4-(4-chloro-3-fluorophenoxy)-2-methylphenyl]butan-2-amine
CID 82718867
1-[4-(2,5-dimethylphenoxy)-2-methylphenyl]butan-2-amine
CID 63802262
1-(4-ethoxy-2-methylphenyl)heptan-4-amine
CID 83936586
(4-ethoxy-2-methylphenyl)methanethiol
CID 83798448
1-(4-ethoxyphenyl)butan-2-amine
CID 43566029
1-(2-ethoxy-4,5-dimethylphenyl)butan-2-amine
CID 170890416
1-(2-ethoxy-5-fluoro-3-methylphenyl)butan-2-amine
CID 170890449
1-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)butan-2-amine;hydrochloride
CID 170889656
1-[4-(4-ethoxyphenoxy)phenyl]butan-2-amine
CID 63816977
1-[2-(3,4-dimethylphenoxy)-5-fluorophenyl]butan-2-amine
CID 63802435

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-2-methylphenyl)butan-2-amine?
The IUPAC name of 1-(4-ethoxy-2-methylphenyl)butan-2-amine (CID 13209708) is 1-(4-ethoxy-2-methylphenyl)butan-2-amine.
What is the SMILES notation for 1-(4-ethoxy-2-methylphenyl)butan-2-amine?
The canonical SMILES for 1-(4-ethoxy-2-methylphenyl)butan-2-amine is CCOc1ccc(CC(N)CC)c(C)c1.
What is the InChIKey of 1-(4-ethoxy-2-methylphenyl)butan-2-amine?
The InChIKey is PQEZCZRQYYUOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-12(14)9-11-6-7-13(15-5-2)8-10(11)3/h6-8,12H,4-5,9,14H2,1-3H3.
What are the key properties of 1-(4-ethoxy-2-methylphenyl)butan-2-amine?
1-(4-ethoxy-2-methylphenyl)butan-2-amine has a molecular weight of 207.32 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-2-methylphenyl)butan-2-amine is sourced from PubChem (CID 13209708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).