2-(3-pentan-2-yloxyphenyl)ethanamine

C13H21NO — CID 107885455

IUPAC2-(3-pentan-2-yloxyphenyl)ethanamine
SMILESCCCC(C)Oc1cccc(CCN)c1
InChIInChI=1S/C13H21NO/c1-3-5-11(2)15-13-7-4-6-12(10-13)8-9-14/h4,6-7,10-11H,3,5,8-9,14H2,1-2H3
InChIKeyVUVLYPKZHNUXQO-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.76
Rot. Bonds6

About 2-(3-pentan-2-yloxyphenyl)ethanamine

2-(3-pentan-2-yloxyphenyl)ethanamine (PubChem CID 107885455) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-(3-pentan-2-yloxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-pentan-2-yloxyphenyl)ethanamine
PubChem CID107885455
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-(3-pentan-2-yloxyphenyl)ethanamine
SMILESCCCC(C)Oc1cccc(CCN)c1
InChIInChI=1S/C13H21NO/c1-3-5-11(2)15-13-7-4-6-12(10-13)8-9-14/h4,6-7,10-11H,3,5,8-9,14H2,1-2H3
InChIKeyVUVLYPKZHNUXQO-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-[(2R)-butan-2-yl]oxyphenyl]propan-1-amine
CID 141378858
2-[3-(difluoromethoxy)phenyl]ethanamine
CID 45091388
2-methyl-N-[(3-pentan-2-yloxyphenyl)methyl]propan-1-amine
CID 107890981
3-[3-(aminomethyl)phenoxy]-N,N-diethylbutan-1-amine
CID 82037287
3-(3-ethoxyphenoxy)butan-1-amine
CID 112507822
(1S)-1-(3-pentan-2-yloxyphenyl)ethanol
CID 107892276
2-(3-methoxyphenyl)ethanamine;tetrabromoplumbane
CID 175411262
1-pentan-2-yloxy-3-(trifluoromethyl)benzene
CID 54046925
2-[3-(2-ethylbutoxy)phenyl]ethanamine
CID 82922399
2-methylpentyl 3-(2-aminoethyl)benzoate
CID 103284182
N'-hydroxy-3-pentan-2-yloxybenzenecarboximidamide
CID 107892882
1-hexyl-3-propan-2-yloxybenzene
CID 159994008

Frequently Asked Questions

What is the IUPAC name of 2-(3-pentan-2-yloxyphenyl)ethanamine?
The IUPAC name of 2-(3-pentan-2-yloxyphenyl)ethanamine (CID 107885455) is 2-(3-pentan-2-yloxyphenyl)ethanamine.
What is the SMILES notation for 2-(3-pentan-2-yloxyphenyl)ethanamine?
The canonical SMILES for 2-(3-pentan-2-yloxyphenyl)ethanamine is CCCC(C)Oc1cccc(CCN)c1.
What is the InChIKey of 2-(3-pentan-2-yloxyphenyl)ethanamine?
The InChIKey is VUVLYPKZHNUXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-3-5-11(2)15-13-7-4-6-12(10-13)8-9-14/h4,6-7,10-11H,3,5,8-9,14H2,1-2H3.
What are the key properties of 2-(3-pentan-2-yloxyphenyl)ethanamine?
2-(3-pentan-2-yloxyphenyl)ethanamine has a molecular weight of 207.32 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pentan-2-yloxyphenyl)ethanamine is sourced from PubChem (CID 107885455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).