3-(3-ethoxyphenyl)-2-methylbutan-1-amine

C13H21NO — CID 81010324

IUPAC3-(3-ethoxyphenyl)-2-methylbutan-1-amine
SMILESCCOc1cccc(C(C)C(C)CN)c1
InChIInChI=1S/C13H21NO/c1-4-15-13-7-5-6-12(8-13)11(3)10(2)9-14/h5-8,10-11H,4,9,14H2,1-3H3
InChIKeyDVEWQHDHGXNUFT-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.78
Rot. Bonds5

About 3-(3-ethoxyphenyl)-2-methylbutan-1-amine

3-(3-ethoxyphenyl)-2-methylbutan-1-amine (PubChem CID 81010324) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-(3-ethoxyphenyl)-2-methylbutan-1-amine.

Molecular Properties

Compound Name3-(3-ethoxyphenyl)-2-methylbutan-1-amine
PubChem CID81010324
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name3-(3-ethoxyphenyl)-2-methylbutan-1-amine
SMILESCCOc1cccc(C(C)C(C)CN)c1
InChIInChI=1S/C13H21NO/c1-4-15-13-7-5-6-12(8-13)11(3)10(2)9-14/h5-8,10-11H,4,9,14H2,1-3H3
InChIKeyDVEWQHDHGXNUFT-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-ethoxyphenyl)-2-methylbutan-1-amine
CID 79444348
1-(3-ethoxyphenyl)-2,3-dimethylbutan-1-amine
CID 105022384
(1S)-1-(3-ethoxyphenyl)-2,2-dimethylpropan-1-amine
CID 94424615
3-amino-2-methyl-1-(3-propoxyphenyl)propan-1-ol
CID 65190715
2-(aminomethyl)-1-(3-ethoxyphenyl)pentan-1-ol
CID 79415352
(1S,2R)-1-amino-1-(3-ethoxyphenyl)propan-2-ol;hydrochloride
CID 171268301
1-(dichloromethyl)-3-ethoxybenzene
CID 54222929
2-(3-ethoxyphenyl)-N'-methylpropane-1,3-diamine
CID 20546345
3-amino-1-(3-ethoxyphenyl)propan-1-ol
CID 79135598
1-(3-ethoxyphenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 60874089
2-(3-ethoxyphenyl)propanenitrile
CID 130134984
(1R)-1-(3-ethoxyphenyl)-2-fluoroethanamine;hydrochloride
CID 171225210

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxyphenyl)-2-methylbutan-1-amine?
The IUPAC name of 3-(3-ethoxyphenyl)-2-methylbutan-1-amine (CID 81010324) is 3-(3-ethoxyphenyl)-2-methylbutan-1-amine.
What is the SMILES notation for 3-(3-ethoxyphenyl)-2-methylbutan-1-amine?
The canonical SMILES for 3-(3-ethoxyphenyl)-2-methylbutan-1-amine is CCOc1cccc(C(C)C(C)CN)c1.
What is the InChIKey of 3-(3-ethoxyphenyl)-2-methylbutan-1-amine?
The InChIKey is DVEWQHDHGXNUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-15-13-7-5-6-12(8-13)11(3)10(2)9-14/h5-8,10-11H,4,9,14H2,1-3H3.
What are the key properties of 3-(3-ethoxyphenyl)-2-methylbutan-1-amine?
3-(3-ethoxyphenyl)-2-methylbutan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxyphenyl)-2-methylbutan-1-amine is sourced from PubChem (CID 81010324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).