1-(2,5-dimethylphenoxy)-1-(2-methylphenyl)butan-2-amine

C19H25NO — CID 63458600

IUPAC1-(2,5-dimethylphenoxy)-1-(2-methylphenyl)butan-2-amine
SMILESCCC(N)C(Oc1cc(C)ccc1C)c1ccccc1C
InChIInChI=1S/C19H25NO/c1-5-17(20)19(16-9-7-6-8-14(16)3)21-18-12-13(2)10-11-15(18)4/h6-12,17,19H,5,20H2,1-4H3
InChIKeyKHBDSOJADLIXTH-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.47
Rot. Bonds5

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

1-(2,5-dimethylphenoxy)-1-(2-methylphenyl)butan-2-amine (PubChem CID 63458600) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-(2,5-dimethylphenoxy)-1-(2-methylphenyl)butan-2-amine.

Molecular Properties

Compound Name1-(2,5-dimethylphenoxy)-1-(2-methylphenyl)butan-2-amine
PubChem CID63458600
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name1-(2,5-dimethylphenoxy)-1-(2-methylphenyl)butan-2-amine
SMILESCCC(N)C(Oc1cc(C)ccc1C)c1ccccc1C
InChIInChI=1S/C19H25NO/c1-5-17(20)19(16-9-7-6-8-14(16)3)21-18-12-13(2)10-11-15(18)4/h6-12,17,19H,5,20H2,1-4H3
InChIKeyKHBDSOJADLIXTH-UHFFFAOYSA-N
XLogP4.47
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 ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoro-5-methylphenoxy)-1-(2-methylphenyl)butan-2-amine
CID 64854999
1-(2-fluoro-5-methylphenoxy)-1-(2-fluorophenyl)butan-2-amine
CID 64853420
1-(2,5-dimethylphenoxy)propan-1-amine
CID 70392108
1-(5-fluoro-2-methylphenoxy)-1-(3-methylphenyl)butan-2-amine
CID 102980547
2-butan-2-yloxy-1,4-dimethylbenzene
CID 20737129
1-(2-fluoro-5-methylphenoxy)-1-(4-methylphenyl)butan-2-amine
CID 64855572
1-(2-chloro-5-methylphenoxy)-1-(3-methylphenyl)butan-2-amine
CID 63460298
(2R)-2-(2,5-dimethylphenoxy)-N-[(R)-(2-methylphenyl)-phenylmethyl]butanamide
CID 28574923
(2S)-2-(2,5-dimethylphenoxy)-N-[(S)-(2-methylphenyl)-phenylmethyl]butanamide
CID 28574921
1-(2-chlorophenyl)-1-(2-iodophenoxy)butan-2-amine
CID 63459761
1-(2-bromophenyl)-1-(2,4-dichlorophenoxy)butan-2-amine
CID 63457464
1-[(3-bromophenyl)methoxy]-1-(2-methylphenyl)butan-2-amine
CID 82804119

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenoxy)-1-(2-methylphenyl)butan-2-amine?
The IUPAC name of 1-(2,5-dimethylphenoxy)-1-(2-methylphenyl)butan-2-amine (CID 63458600) is 1-(2,5-dimethylphenoxy)-1-(2-methylphenyl)butan-2-amine.
What is the SMILES notation for 1-(2,5-dimethylphenoxy)-1-(2-methylphenyl)butan-2-amine?
The canonical SMILES for 1-(2,5-dimethylphenoxy)-1-(2-methylphenyl)butan-2-amine is CCC(N)C(Oc1cc(C)ccc1C)c1ccccc1C.
What is the InChIKey of 1-(2,5-dimethylphenoxy)-1-(2-methylphenyl)butan-2-amine?
The InChIKey is KHBDSOJADLIXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-5-17(20)19(16-9-7-6-8-14(16)3)21-18-12-13(2)10-11-15(18)4/h6-12,17,19H,5,20H2,1-4H3.
What are the key properties of 1-(2,5-dimethylphenoxy)-1-(2-methylphenyl)butan-2-amine?
1-(2,5-dimethylphenoxy)-1-(2-methylphenyl)butan-2-amine has a molecular weight of 283.42 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenoxy)-1-(2-methylphenyl)butan-2-amine is sourced from PubChem (CID 63458600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).