N-ethyl-N-[2-(4-ethylphenoxy)butyl]aniline

C20H27NO — CID 70632928

IUPACN-ethyl-N-[2-(4-ethylphenoxy)butyl]aniline
SMILESCCc1ccc(OC(CC)CN(CC)c2ccccc2)cc1
InChIInChI=1S/C20H27NO/c1-4-17-12-14-20(15-13-17)22-19(5-2)16-21(6-3)18-10-8-7-9-11-18/h7-15,19H,4-6,16H2,1-3H3
InChIKeyBQNMZYKCHKWLCH-UHFFFAOYSA-N
MW297.44 g/mol
LogP4.93
Rot. Bonds8

About N-ethyl-N-[2-(4-ethylphenoxy)butyl]aniline

N-ethyl-N-[2-(4-ethylphenoxy)butyl]aniline (PubChem CID 70632928) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is N-ethyl-N-[2-(4-ethylphenoxy)butyl]aniline.

Molecular Properties

Compound NameN-ethyl-N-[2-(4-ethylphenoxy)butyl]aniline
PubChem CID70632928
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC NameN-ethyl-N-[2-(4-ethylphenoxy)butyl]aniline
SMILESCCc1ccc(OC(CC)CN(CC)c2ccccc2)cc1
InChIInChI=1S/C20H27NO/c1-4-17-12-14-20(15-13-17)22-19(5-2)16-21(6-3)18-10-8-7-9-11-18/h7-15,19H,4-6,16H2,1-3H3
InChIKeyBQNMZYKCHKWLCH-UHFFFAOYSA-N
XLogP4.93
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-[2-(4-phenylphenoxy)butyl]aniline
CID 70633219
N-ethyl-N-[2-(2-ethylphenoxy)butyl]aniline
CID 70633070
N-ethyl-N-[2-(2-methylphenoxy)butyl]aniline
CID 70632478
N-[2-(2,4-dichlorophenoxy)butyl]-N-ethylaniline
CID 70632627
1-(N-ethylanilino)butan-2-yl (2-ethylphenyl) carbonate
CID 70632038
N,N-diethylaniline
CID 7061
2-amino-3-(N-ethylanilino)propan-1-ol
CID 64796105
N-[2-(bromomethyl)butyl]-N-ethylaniline
CID 65000533
N-[2-[4-(aminomethyl)phenoxy]ethyl]-N-ethylaniline
CID 43253527
N'-ethyl-N-[(4-methoxyphenyl)methyl]-N-methyl-N'-phenylethane-1,2-diamine
CID 54566866
N-[4-(diethylamino)phenyl]-2-(4-ethylphenoxy)propanamide
CID 4953277
1-(chloromethyl)-4-pentan-3-yloxybenzene
CID 54051515

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(4-ethylphenoxy)butyl]aniline?
The IUPAC name of N-ethyl-N-[2-(4-ethylphenoxy)butyl]aniline (CID 70632928) is N-ethyl-N-[2-(4-ethylphenoxy)butyl]aniline.
What is the SMILES notation for N-ethyl-N-[2-(4-ethylphenoxy)butyl]aniline?
The canonical SMILES for N-ethyl-N-[2-(4-ethylphenoxy)butyl]aniline is CCc1ccc(OC(CC)CN(CC)c2ccccc2)cc1.
What is the InChIKey of N-ethyl-N-[2-(4-ethylphenoxy)butyl]aniline?
The InChIKey is BQNMZYKCHKWLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO/c1-4-17-12-14-20(15-13-17)22-19(5-2)16-21(6-3)18-10-8-7-9-11-18/h7-15,19H,4-6,16H2,1-3H3.
What are the key properties of N-ethyl-N-[2-(4-ethylphenoxy)butyl]aniline?
N-ethyl-N-[2-(4-ethylphenoxy)butyl]aniline has a molecular weight of 297.44 g/mol, XLogP of 4.93, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(4-ethylphenoxy)butyl]aniline is sourced from PubChem (CID 70632928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).