2-(2-ethylphenoxy)pentan-1-amine

C13H21NO — CID 83044721

IUPAC2-(2-ethylphenoxy)pentan-1-amine
SMILESCCCC(CN)Oc1ccccc1CC
InChIInChI=1S/C13H21NO/c1-3-7-12(10-14)15-13-9-6-5-8-11(13)4-2/h5-6,8-9,12H,3-4,7,10,14H2,1-2H3
InChIKeyMKNRDWAHUKKDHA-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.76
Rot. Bonds6

About 2-(2-ethylphenoxy)pentan-1-amine

2-(2-ethylphenoxy)pentan-1-amine (PubChem CID 83044721) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-(2-ethylphenoxy)pentan-1-amine.

Molecular Properties

Compound Name2-(2-ethylphenoxy)pentan-1-amine
PubChem CID83044721
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-(2-ethylphenoxy)pentan-1-amine
SMILESCCCC(CN)Oc1ccccc1CC
InChIInChI=1S/C13H21NO/c1-3-7-12(10-14)15-13-9-6-5-8-11(13)4-2/h5-6,8-9,12H,3-4,7,10,14H2,1-2H3
InChIKeyMKNRDWAHUKKDHA-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

2-(2,3-dimethylphenoxy)pentan-1-amine
CID 83045210
2-(2-ethylphenoxy)pentanoic acid
CID 83038631
2-[2-[(E)-prop-1-enyl]phenoxy]pentan-1-amine
CID 83045143
4-[1-(2-ethylphenoxy)ethyl]aniline
CID 61261291
2-(2-methylphenoxy)octan-1-amine
CID 155313069
3-(2-ethylphenoxy)-4,4,4-trifluorobutan-1-amine
CID 43753350
1-(2-ethylphenoxy)ethanol
CID 154419184
1-butan-2-yloxy-2-ethylbenzene
CID 64763289
(2R)-2-(2-ethylphenoxy)-N-[(2S)-pentan-2-yl]propanamide
CID 92684665
(2S)-2-(2-ethylphenoxy)-N-[(2R)-pentan-2-yl]propanamide
CID 92684666
ethyl 2-[2-(2-hydroxyethyl)phenoxy]pentanoate
CID 107711619
2-[(2-chlorophenyl)methoxy]pentan-1-amine
CID 83044971

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylphenoxy)pentan-1-amine?
The IUPAC name of 2-(2-ethylphenoxy)pentan-1-amine (CID 83044721) is 2-(2-ethylphenoxy)pentan-1-amine.
What is the SMILES notation for 2-(2-ethylphenoxy)pentan-1-amine?
The canonical SMILES for 2-(2-ethylphenoxy)pentan-1-amine is CCCC(CN)Oc1ccccc1CC.
What is the InChIKey of 2-(2-ethylphenoxy)pentan-1-amine?
The InChIKey is MKNRDWAHUKKDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-3-7-12(10-14)15-13-9-6-5-8-11(13)4-2/h5-6,8-9,12H,3-4,7,10,14H2,1-2H3.
What are the key properties of 2-(2-ethylphenoxy)pentan-1-amine?
2-(2-ethylphenoxy)pentan-1-amine 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-(2-ethylphenoxy)pentan-1-amine is sourced from PubChem (CID 83044721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).