1-[4-(2,5-dimethylphenoxy)-2-methylphenyl]butan-2-amine

C19H25NO — CID 63802262

IUPAC1-[4-(2,5-dimethylphenoxy)-2-methylphenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(Oc2cc(C)ccc2C)cc1C
InChIInChI=1S/C19H25NO/c1-5-17(20)12-16-8-9-18(11-15(16)4)21-19-10-13(2)6-7-14(19)3/h6-11,17H,5,12,20H2,1-4H3
InChIKeyVNJLWFJHWZZRHV-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.68
Rot. Bonds5

About 1-[4-(2,5-dimethylphenoxy)-2-methylphenyl]butan-2-amine

1-[4-(2,5-dimethylphenoxy)-2-methylphenyl]butan-2-amine (PubChem CID 63802262) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-[4-(2,5-dimethylphenoxy)-2-methylphenyl]butan-2-amine.

Molecular Properties

Compound Name1-[4-(2,5-dimethylphenoxy)-2-methylphenyl]butan-2-amine
PubChem CID63802262
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name1-[4-(2,5-dimethylphenoxy)-2-methylphenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(Oc2cc(C)ccc2C)cc1C
InChIInChI=1S/C19H25NO/c1-5-17(20)12-16-8-9-18(11-15(16)4)21-19-10-13(2)6-7-14(19)3/h6-11,17H,5,12,20H2,1-4H3
InChIKeyVNJLWFJHWZZRHV-UHFFFAOYSA-N
XLogP4.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(2,5-dimethylphenoxy)phenyl]butan-2-amine
CID 63941760
1-[4-(4-chlorophenoxy)-2-methylphenyl]butan-2-amine
CID 63802763
1-[2-(3,4-dimethylphenoxy)-5-fluorophenyl]butan-2-amine
CID 63802435
1-(4-ethoxy-2-methylphenyl)butan-2-amine
CID 13209708
1-[4-(2-fluoro-5-methylphenoxy)-2-methylphenyl]propan-2-amine
CID 64855867
1-[4-(4-chloro-3-fluorophenoxy)-2-methylphenyl]butan-2-amine
CID 82718867
1-[2-(4-methylphenoxy)phenyl]butan-2-amine;hydrochloride
CID 170889351
1-[3-(3,4-difluorophenoxy)-4-methylphenyl]butan-2-amine
CID 105411167
1,4-bis(2,5-dimethylphenoxy)-2-methylbenzene
CID 160687040
[2-(3,4-dimethylphenoxy)-4-methylphenyl]methanamine
CID 62309021
1-(2-methoxy-5-methylphenyl)butan-2-amine;hydrochloride
CID 170889680
1-[3-(5-fluoro-2-methylphenoxy)phenyl]butan-2-amine
CID 102990384

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,5-dimethylphenoxy)-2-methylphenyl]butan-2-amine?
The IUPAC name of 1-[4-(2,5-dimethylphenoxy)-2-methylphenyl]butan-2-amine (CID 63802262) is 1-[4-(2,5-dimethylphenoxy)-2-methylphenyl]butan-2-amine.
What is the SMILES notation for 1-[4-(2,5-dimethylphenoxy)-2-methylphenyl]butan-2-amine?
The canonical SMILES for 1-[4-(2,5-dimethylphenoxy)-2-methylphenyl]butan-2-amine is CCC(N)Cc1ccc(Oc2cc(C)ccc2C)cc1C.
What is the InChIKey of 1-[4-(2,5-dimethylphenoxy)-2-methylphenyl]butan-2-amine?
The InChIKey is VNJLWFJHWZZRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-5-17(20)12-16-8-9-18(11-15(16)4)21-19-10-13(2)6-7-14(19)3/h6-11,17H,5,12,20H2,1-4H3.
What are the key properties of 1-[4-(2,5-dimethylphenoxy)-2-methylphenyl]butan-2-amine?
1-[4-(2,5-dimethylphenoxy)-2-methylphenyl]butan-2-amine has a molecular weight of 283.42 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,5-dimethylphenoxy)-2-methylphenyl]butan-2-amine is sourced from PubChem (CID 63802262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).