1-(3-ethoxyphenyl)-2,3-dimethylbutan-1-amine

C14H23NO — CID 105022384

IUPAC1-(3-ethoxyphenyl)-2,3-dimethylbutan-1-amine
SMILESCCOc1cccc(C(N)C(C)C(C)C)c1
InChIInChI=1S/C14H23NO/c1-5-16-13-8-6-7-12(9-13)14(15)11(4)10(2)3/h6-11,14H,5,15H2,1-4H3
InChIKeyHVGJOXQDRODSSK-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.38
Rot. Bonds5

About 1-(3-ethoxyphenyl)-2,3-dimethylbutan-1-amine

1-(3-ethoxyphenyl)-2,3-dimethylbutan-1-amine (PubChem CID 105022384) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-(3-ethoxyphenyl)-2,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(3-ethoxyphenyl)-2,3-dimethylbutan-1-amine
PubChem CID105022384
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-(3-ethoxyphenyl)-2,3-dimethylbutan-1-amine
SMILESCCOc1cccc(C(N)C(C)C(C)C)c1
InChIInChI=1S/C14H23NO/c1-5-16-13-8-6-7-12(9-13)14(15)11(4)10(2)3/h6-11,14H,5,15H2,1-4H3
InChIKeyHVGJOXQDRODSSK-UHFFFAOYSA-N
XLogP3.38
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-ethoxyphenyl)-2-methylbutan-1-amine
CID 79444348
(1S,2R)-1-amino-1-(3-ethoxyphenyl)propan-2-ol;hydrochloride
CID 171268301
1-(3-methoxyphenyl)-2,3-dimethylbutan-1-amine
CID 115785901
(1S)-1-(3-ethoxyphenyl)-2,2-dimethylpropan-1-amine
CID 94424615
1-(3-ethoxyphenyl)-5-methylhexan-1-amine
CID 83161762
3-(3-ethoxyphenyl)-2-methylbutan-1-amine
CID 81010324
(1R)-1-(3-ethoxyphenyl)-2-fluoroethanamine;hydrochloride
CID 171225210
1-(3-ethylphenyl)-2,3-dimethylbutan-1-amine
CID 105018856
(3-ethoxyphenyl)-(3-methylphenyl)methanamine
CID 60798038
(1S)-1-(3-ethoxyphenyl)prop-2-en-1-amine
CID 171225218
1-(dichloromethyl)-3-ethoxybenzene
CID 54222929
1-(3-ethoxyphenyl)-4,4-dimethylpentan-1-amine
CID 55095433

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyphenyl)-2,3-dimethylbutan-1-amine?
The IUPAC name of 1-(3-ethoxyphenyl)-2,3-dimethylbutan-1-amine (CID 105022384) is 1-(3-ethoxyphenyl)-2,3-dimethylbutan-1-amine.
What is the SMILES notation for 1-(3-ethoxyphenyl)-2,3-dimethylbutan-1-amine?
The canonical SMILES for 1-(3-ethoxyphenyl)-2,3-dimethylbutan-1-amine is CCOc1cccc(C(N)C(C)C(C)C)c1.
What is the InChIKey of 1-(3-ethoxyphenyl)-2,3-dimethylbutan-1-amine?
The InChIKey is HVGJOXQDRODSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-16-13-8-6-7-12(9-13)14(15)11(4)10(2)3/h6-11,14H,5,15H2,1-4H3.
What are the key properties of 1-(3-ethoxyphenyl)-2,3-dimethylbutan-1-amine?
1-(3-ethoxyphenyl)-2,3-dimethylbutan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyphenyl)-2,3-dimethylbutan-1-amine is sourced from PubChem (CID 105022384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).