4-[4-(2-ethylbutoxy)phenyl]butan-2-amine

C16H27NO — CID 82926712

IUPAC4-[4-(2-ethylbutoxy)phenyl]butan-2-amine
SMILESCCC(CC)COc1ccc(CCC(C)N)cc1
InChIInChI=1S/C16H27NO/c1-4-14(5-2)12-18-16-10-8-15(9-11-16)7-6-13(3)17/h8-11,13-14H,4-7,12,17H2,1-3H3
InChIKeyWGYGCGOAXBMJJD-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.78
Rot. Bonds8

About 4-[4-(2-ethylbutoxy)phenyl]butan-2-amine

4-[4-(2-ethylbutoxy)phenyl]butan-2-amine (PubChem CID 82926712) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 4-[4-(2-ethylbutoxy)phenyl]butan-2-amine.

Molecular Properties

Compound Name4-[4-(2-ethylbutoxy)phenyl]butan-2-amine
PubChem CID82926712
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name4-[4-(2-ethylbutoxy)phenyl]butan-2-amine
SMILESCCC(CC)COc1ccc(CCC(C)N)cc1
InChIInChI=1S/C16H27NO/c1-4-14(5-2)12-18-16-10-8-15(9-11-16)7-6-13(3)17/h8-11,13-14H,4-7,12,17H2,1-3H3
InChIKeyWGYGCGOAXBMJJD-UHFFFAOYSA-N
XLogP3.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(2-ethylbutoxy)phenyl]butan-2-ol
CID 82928939
4-[4-(2-methoxypropoxy)phenyl]butan-2-amine
CID 113382671
4-[4-(3-ethoxypropoxy)phenyl]butan-2-amine
CID 65175903
1-(chloromethyl)-4-(2-ethylbutoxy)benzene
CID 82928128
4-[4-[(4-methylphenyl)methoxy]phenyl]butan-2-amine
CID 43184619
1-(bromomethyl)-4-(2-ethylbutoxy)benzene
CID 82929266
4-[4-[(E)-but-2-enoxy]phenyl]butan-2-amine
CID 60879766
4-[4-[2-(dimethylamino)ethoxy]phenyl]butan-2-amine
CID 16786701
4-[4-(3-phenylpropoxy)phenyl]butan-2-amine
CID 43094230
4-[4-[(5-ethylthiophen-2-yl)methoxy]phenyl]butan-2-amine
CID 60878632
4-[4-(3-methylbut-3-enoxy)phenyl]butan-2-amine
CID 114471370
2-[4-(2-methylbutoxy)phenyl]ethanamine
CID 62105840

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-ethylbutoxy)phenyl]butan-2-amine?
The IUPAC name of 4-[4-(2-ethylbutoxy)phenyl]butan-2-amine (CID 82926712) is 4-[4-(2-ethylbutoxy)phenyl]butan-2-amine.
What is the SMILES notation for 4-[4-(2-ethylbutoxy)phenyl]butan-2-amine?
The canonical SMILES for 4-[4-(2-ethylbutoxy)phenyl]butan-2-amine is CCC(CC)COc1ccc(CCC(C)N)cc1.
What is the InChIKey of 4-[4-(2-ethylbutoxy)phenyl]butan-2-amine?
The InChIKey is WGYGCGOAXBMJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-4-14(5-2)12-18-16-10-8-15(9-11-16)7-6-13(3)17/h8-11,13-14H,4-7,12,17H2,1-3H3.
What are the key properties of 4-[4-(2-ethylbutoxy)phenyl]butan-2-amine?
4-[4-(2-ethylbutoxy)phenyl]butan-2-amine has a molecular weight of 249.40 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-ethylbutoxy)phenyl]butan-2-amine is sourced from PubChem (CID 82926712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).