N-ethyl-1-(2-ethylphenoxy)butan-2-amine

C14H23NO — CID 62040851

IUPACN-ethyl-1-(2-ethylphenoxy)butan-2-amine
SMILESCCNC(CC)COc1ccccc1CC
InChIInChI=1S/C14H23NO/c1-4-12-9-7-8-10-14(12)16-11-13(5-2)15-6-3/h7-10,13,15H,4-6,11H2,1-3H3
InChIKeyTWFOGXBSMTWCOL-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.02
Rot. Bonds7

About N-ethyl-1-(2-ethylphenoxy)butan-2-amine

N-ethyl-1-(2-ethylphenoxy)butan-2-amine (PubChem CID 62040851) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-ethyl-1-(2-ethylphenoxy)butan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-ethylphenoxy)butan-2-amine
PubChem CID62040851
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-ethyl-1-(2-ethylphenoxy)butan-2-amine
SMILESCCNC(CC)COc1ccccc1CC
InChIInChI=1S/C14H23NO/c1-4-12-9-7-8-10-14(12)16-11-13(5-2)15-6-3/h7-10,13,15H,4-6,11H2,1-3H3
InChIKeyTWFOGXBSMTWCOL-UHFFFAOYSA-N
XLogP3.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-N-ethyl-2-(2-ethylphenoxy)ethanamine
CID 63906895
1-(2,2-dimethoxyethoxy)-2-ethylbenzene
CID 66223177
N-ethyl-1-quinolin-8-yloxybutan-2-amine
CID 62039773
1-(2-ethoxyphenoxy)-N-ethyl-3-methoxypropan-2-amine
CID 107506539
2-(cyclopropylamino)-3-(2-ethylphenoxy)propan-1-ol
CID 64806250
N-ethyl-1-(4-fluorophenoxy)butan-2-amine
CID 62038922
1-(2-ethylphenoxy)-3-(methylamino)propan-2-ol
CID 43173825
2-(2-ethylphenoxy)-1-phenylethanol
CID 60731173
methyl 2-(ethylamino)-4-(2-ethylphenoxy)butanoate
CID 55143393
2-[2-(ethylaminomethyl)phenoxy]-N-pentan-3-ylacetamide
CID 61487053
3-(2-ethylphenoxy)-2-methylpropanamide
CID 64765862
2-(2-ethylphenoxy)-1-phenylethanamine;hydrochloride
CID 162317712

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-ethylphenoxy)butan-2-amine?
The IUPAC name of N-ethyl-1-(2-ethylphenoxy)butan-2-amine (CID 62040851) is N-ethyl-1-(2-ethylphenoxy)butan-2-amine.
What is the SMILES notation for N-ethyl-1-(2-ethylphenoxy)butan-2-amine?
The canonical SMILES for N-ethyl-1-(2-ethylphenoxy)butan-2-amine is CCNC(CC)COc1ccccc1CC.
What is the InChIKey of N-ethyl-1-(2-ethylphenoxy)butan-2-amine?
The InChIKey is TWFOGXBSMTWCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-12-9-7-8-10-14(12)16-11-13(5-2)15-6-3/h7-10,13,15H,4-6,11H2,1-3H3.
What are the key properties of N-ethyl-1-(2-ethylphenoxy)butan-2-amine?
N-ethyl-1-(2-ethylphenoxy)butan-2-amine has a molecular weight of 221.34 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-ethylphenoxy)butan-2-amine is sourced from PubChem (CID 62040851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).