1-[2,5-dimethyl-4-(2-methylpropoxy)phenyl]butan-1-amine

C16H27NO — CID 82552270

IUPAC1-[2,5-dimethyl-4-(2-methylpropoxy)phenyl]butan-1-amine
SMILESCCCC(N)c1cc(C)c(OCC(C)C)cc1C
InChIInChI=1S/C16H27NO/c1-6-7-15(17)14-8-13(5)16(9-12(14)4)18-10-11(2)3/h8-9,11,15H,6-7,10,17H2,1-5H3
InChIKeyPGEGRBTZYVOJML-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.14
Rot. Bonds6

About 1-[2,5-dimethyl-4-(2-methylpropoxy)phenyl]butan-1-amine

1-[2,5-dimethyl-4-(2-methylpropoxy)phenyl]butan-1-amine (PubChem CID 82552270) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-[2,5-dimethyl-4-(2-methylpropoxy)phenyl]butan-1-amine.

Molecular Properties

Compound Name1-[2,5-dimethyl-4-(2-methylpropoxy)phenyl]butan-1-amine
PubChem CID82552270
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name1-[2,5-dimethyl-4-(2-methylpropoxy)phenyl]butan-1-amine
SMILESCCCC(N)c1cc(C)c(OCC(C)C)cc1C
InChIInChI=1S/C16H27NO/c1-6-7-15(17)14-8-13(5)16(9-12(14)4)18-10-11(2)3/h8-9,11,15H,6-7,10,17H2,1-5H3
InChIKeyPGEGRBTZYVOJML-UHFFFAOYSA-N
XLogP4.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-fluoro-5-(2-methylpropoxy)phenyl]butan-1-amine
CID 83988832
1-[2-ethyl-4-(2-methylpropoxy)phenyl]butan-1-amine
CID 82551989
5-amino-2-(2,5-dimethyl-4-propoxyphenyl)octan-4-ol
CID 83941032
1-(4-ethoxy-2,3,6-trimethylphenyl)butan-1-amine
CID 82552633
3-amino-3-(4,5-dimethoxy-2-methylphenyl)propane-1-thiol
CID 116831267
(1S)-1-[3-methyl-4-(2-methylpropoxy)phenyl]ethanamine
CID 89490025
1-(5-methyl-2-propan-2-yloxyphenyl)butan-1-amine
CID 82550097
1-(2-methyl-4-propan-2-yloxyphenyl)butan-1-amine
CID 82553641
4-(2,5-dimethyl-4-propoxyphenyl)heptan-1-amine
CID 83940931
1-(4-methoxy-2-methylphenyl)butan-1-amine
CID 43198786
1-[3-methyl-4-(2-methylpentoxy)phenyl]ethanamine
CID 113386781
1-fluoro-4,5-dimethyl-2-(2-methylpropoxy)benzene
CID 154939698

Frequently Asked Questions

What is the IUPAC name of 1-[2,5-dimethyl-4-(2-methylpropoxy)phenyl]butan-1-amine?
The IUPAC name of 1-[2,5-dimethyl-4-(2-methylpropoxy)phenyl]butan-1-amine (CID 82552270) is 1-[2,5-dimethyl-4-(2-methylpropoxy)phenyl]butan-1-amine.
What is the SMILES notation for 1-[2,5-dimethyl-4-(2-methylpropoxy)phenyl]butan-1-amine?
The canonical SMILES for 1-[2,5-dimethyl-4-(2-methylpropoxy)phenyl]butan-1-amine is CCCC(N)c1cc(C)c(OCC(C)C)cc1C.
What is the InChIKey of 1-[2,5-dimethyl-4-(2-methylpropoxy)phenyl]butan-1-amine?
The InChIKey is PGEGRBTZYVOJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-6-7-15(17)14-8-13(5)16(9-12(14)4)18-10-11(2)3/h8-9,11,15H,6-7,10,17H2,1-5H3.
What are the key properties of 1-[2,5-dimethyl-4-(2-methylpropoxy)phenyl]butan-1-amine?
1-[2,5-dimethyl-4-(2-methylpropoxy)phenyl]butan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,5-dimethyl-4-(2-methylpropoxy)phenyl]butan-1-amine is sourced from PubChem (CID 82552270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).