N-[2-(4-ethylphenoxy)ethyl]butan-2-amine

C14H23NO — CID 54802109

IUPACN-[2-(4-ethylphenoxy)ethyl]butan-2-amine
SMILESCCc1ccc(OCCNC(C)CC)cc1
InChIInChI=1S/C14H23NO/c1-4-12(3)15-10-11-16-14-8-6-13(5-2)7-9-14/h6-9,12,15H,4-5,10-11H2,1-3H3
InChIKeyJFQHYFSWADGIJS-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.02
Rot. Bonds7

About N-[2-(4-ethylphenoxy)ethyl]butan-2-amine

N-[2-(4-ethylphenoxy)ethyl]butan-2-amine (PubChem CID 54802109) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-[2-(4-ethylphenoxy)ethyl]butan-2-amine.

Molecular Properties

Compound NameN-[2-(4-ethylphenoxy)ethyl]butan-2-amine
PubChem CID54802109
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-[2-(4-ethylphenoxy)ethyl]butan-2-amine
SMILESCCc1ccc(OCCNC(C)CC)cc1
InChIInChI=1S/C14H23NO/c1-4-12(3)15-10-11-16-14-8-6-13(5-2)7-9-14/h6-9,12,15H,4-5,10-11H2,1-3H3
InChIKeyJFQHYFSWADGIJS-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-propylphenoxy)ethyl]butan-2-amine
CID 62584206
N-[2-(4-phenoxyphenoxy)ethyl]butan-2-amine
CID 63504622
(2S)-N-[3-[4-[(2R)-butan-2-yl]phenoxy]propyl]butan-2-amine
CID 2182699
(2R)-N-[2-(4-nitrophenoxy)ethyl]butan-2-amine
CID 2182561
(2R)-N-[(4-propoxyphenyl)methyl]butan-2-amine
CID 28610492
N-[(2S)-butan-2-yl]-4-(4-propoxyphenoxy)butan-1-amine
CID 2183457
(2S)-N-[(4-propoxyphenyl)methyl]butan-2-amine
CID 28610490
(2R)-N-[2-(4-chloro-3-ethylphenoxy)ethyl]butan-2-amine
CID 2184559
1-ethyl-4-(2-propan-2-yloxyethoxy)benzene
CID 60643723
(2R)-N-[2-(2-phenoxyethoxy)ethyl]butan-2-amine
CID 2299919
N-[2-(6-bromonaphthalen-2-yl)oxyethyl]butan-2-amine
CID 55195327
1-(4-ethylphenyl)-N-(2-phenoxyethyl)propan-1-amine
CID 63453795

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylphenoxy)ethyl]butan-2-amine?
The IUPAC name of N-[2-(4-ethylphenoxy)ethyl]butan-2-amine (CID 54802109) is N-[2-(4-ethylphenoxy)ethyl]butan-2-amine.
What is the SMILES notation for N-[2-(4-ethylphenoxy)ethyl]butan-2-amine?
The canonical SMILES for N-[2-(4-ethylphenoxy)ethyl]butan-2-amine is CCc1ccc(OCCNC(C)CC)cc1.
What is the InChIKey of N-[2-(4-ethylphenoxy)ethyl]butan-2-amine?
The InChIKey is JFQHYFSWADGIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-12(3)15-10-11-16-14-8-6-13(5-2)7-9-14/h6-9,12,15H,4-5,10-11H2,1-3H3.
What are the key properties of N-[2-(4-ethylphenoxy)ethyl]butan-2-amine?
N-[2-(4-ethylphenoxy)ethyl]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-[2-(4-ethylphenoxy)ethyl]butan-2-amine is sourced from PubChem (CID 54802109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).