N-[2-(2-butan-2-ylphenoxy)propyl]-3-methoxyaniline

C20H27NO2 — CID 54797517

IUPACN-[2-(2-butan-2-ylphenoxy)propyl]-3-methoxyaniline
SMILESCCC(C)c1ccccc1OC(C)CNc1cccc(OC)c1
InChIInChI=1S/C20H27NO2/c1-5-15(2)19-11-6-7-12-20(19)23-16(3)14-21-17-9-8-10-18(13-17)22-4/h6-13,15-16,21H,5,14H2,1-4H3
InChIKeyJZYGFLHKCJHSIQ-UHFFFAOYSA-N
MW313.44 g/mol
LogP5.09
Rot. Bonds8

About N-[2-(2-butan-2-ylphenoxy)propyl]-3-methoxyaniline

N-[2-(2-butan-2-ylphenoxy)propyl]-3-methoxyaniline (PubChem CID 54797517) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is N-[2-(2-butan-2-ylphenoxy)propyl]-3-methoxyaniline.

Molecular Properties

Compound NameN-[2-(2-butan-2-ylphenoxy)propyl]-3-methoxyaniline
PubChem CID54797517
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC NameN-[2-(2-butan-2-ylphenoxy)propyl]-3-methoxyaniline
SMILESCCC(C)c1ccccc1OC(C)CNc1cccc(OC)c1
InChIInChI=1S/C20H27NO2/c1-5-15(2)19-11-6-7-12-20(19)23-16(3)14-21-17-9-8-10-18(13-17)22-4/h6-13,15-16,21H,5,14H2,1-4H3
InChIKeyJZYGFLHKCJHSIQ-UHFFFAOYSA-N
XLogP5.09
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.44
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethoxy-N-[2-(2-methylphenoxy)propyl]aniline
CID 54800925
1-N-[2-(2-butan-2-ylphenoxy)propyl]-4-N,4-N-diethylbenzene-1,4-diamine
CID 54796277
N-[2-(4-chlorophenoxy)propyl]-3-methoxyaniline
CID 54797523
2-(2-butan-2-ylphenoxy)-N-ethylpropan-1-amine
CID 54798619
3-butoxy-N-[2-(4-methoxyphenoxy)propyl]aniline
CID 46736300
N-[2-(4-methoxyphenoxy)propyl]-3-phenylmethoxyaniline
CID 54801327
3-(2-ethoxyethoxy)-N-[2-(4-methoxyphenoxy)propyl]aniline
CID 54802183
3-(3-methylbutoxy)-N-[2-(2-methylphenoxy)propyl]aniline
CID 54800540
N-[2-(2-chlorophenoxy)propyl]-3-propoxyaniline
CID 54800568
N-[2-(2-methoxyphenoxy)propyl]-3-(3-phenylpropoxy)aniline
CID 54801861
N-[2-(4-methoxyphenoxy)propyl]-3-(3-methylbutoxy)aniline
CID 54800565
1-(2-fluorophenyl)-2-(3-methoxyanilino)ethanol
CID 60900716

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-butan-2-ylphenoxy)propyl]-3-methoxyaniline?
The IUPAC name of N-[2-(2-butan-2-ylphenoxy)propyl]-3-methoxyaniline (CID 54797517) is N-[2-(2-butan-2-ylphenoxy)propyl]-3-methoxyaniline.
What is the SMILES notation for N-[2-(2-butan-2-ylphenoxy)propyl]-3-methoxyaniline?
The canonical SMILES for N-[2-(2-butan-2-ylphenoxy)propyl]-3-methoxyaniline is CCC(C)c1ccccc1OC(C)CNc1cccc(OC)c1.
What is the InChIKey of N-[2-(2-butan-2-ylphenoxy)propyl]-3-methoxyaniline?
The InChIKey is JZYGFLHKCJHSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2/c1-5-15(2)19-11-6-7-12-20(19)23-16(3)14-21-17-9-8-10-18(13-17)22-4/h6-13,15-16,21H,5,14H2,1-4H3.
What are the key properties of N-[2-(2-butan-2-ylphenoxy)propyl]-3-methoxyaniline?
N-[2-(2-butan-2-ylphenoxy)propyl]-3-methoxyaniline has a molecular weight of 313.44 g/mol, XLogP of 5.09, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-butan-2-ylphenoxy)propyl]-3-methoxyaniline is sourced from PubChem (CID 54797517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).