4-(4-ethylphenoxy)-3-methylbutan-1-amine

C13H21NO — CID 112515228

IUPAC4-(4-ethylphenoxy)-3-methylbutan-1-amine
SMILESCCc1ccc(OCC(C)CCN)cc1
InChIInChI=1S/C13H21NO/c1-3-12-4-6-13(7-5-12)15-10-11(2)8-9-14/h4-7,11H,3,8-10,14H2,1-2H3
InChIKeyUATZGROLFCMQKP-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.61
Rot. Bonds6

About 4-(4-ethylphenoxy)-3-methylbutan-1-amine

4-(4-ethylphenoxy)-3-methylbutan-1-amine (PubChem CID 112515228) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-(4-ethylphenoxy)-3-methylbutan-1-amine.

Molecular Properties

Compound Name4-(4-ethylphenoxy)-3-methylbutan-1-amine
PubChem CID112515228
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name4-(4-ethylphenoxy)-3-methylbutan-1-amine
SMILESCCc1ccc(OCC(C)CCN)cc1
InChIInChI=1S/C13H21NO/c1-3-12-4-6-13(7-5-12)15-10-11(2)8-9-14/h4-7,11H,3,8-10,14H2,1-2H3
InChIKeyUATZGROLFCMQKP-UHFFFAOYSA-N
XLogP2.61
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(2-methylbutoxy)phenyl]ethanamine
CID 62105840
[4-(2-methylbutoxy)phenyl]methanamine
CID 62105657
1-(4-ethylphenoxy)butan-2-amine
CID 62038281
[4-[5-[4-(aminomethyl)phenoxy]-2,4-dimethylpentoxy]phenyl]methanamine
CID 143390890
ethane;(4-ethylphenoxy)methanamine
CID 145400359
1-ethyl-4-(3-methylbutoxy)benzene
CID 60722998
3-(4-butylphenoxy)-2-methylpropan-1-amine
CID 115492916
ethyl 3-(4-ethylphenoxy)-2-methylpropanoate
CID 115002229
1-(2,2-diethoxyethoxy)-4-ethylbenzene
CID 12661794
(2S,3S)-3-bromo-1-(4-ethylphenoxy)butan-2-ol
CID 131857038
1-(4-chlorophenoxy)-3-(4-ethylphenyl)propan-2-amine
CID 105101373
2-[4-[(4-ethylphenoxy)methyl]phenyl]propan-1-amine
CID 105350533

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenoxy)-3-methylbutan-1-amine?
The IUPAC name of 4-(4-ethylphenoxy)-3-methylbutan-1-amine (CID 112515228) is 4-(4-ethylphenoxy)-3-methylbutan-1-amine.
What is the SMILES notation for 4-(4-ethylphenoxy)-3-methylbutan-1-amine?
The canonical SMILES for 4-(4-ethylphenoxy)-3-methylbutan-1-amine is CCc1ccc(OCC(C)CCN)cc1.
What is the InChIKey of 4-(4-ethylphenoxy)-3-methylbutan-1-amine?
The InChIKey is UATZGROLFCMQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-3-12-4-6-13(7-5-12)15-10-11(2)8-9-14/h4-7,11H,3,8-10,14H2,1-2H3.
What are the key properties of 4-(4-ethylphenoxy)-3-methylbutan-1-amine?
4-(4-ethylphenoxy)-3-methylbutan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenoxy)-3-methylbutan-1-amine is sourced from PubChem (CID 112515228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).