1-(4-butan-2-ylphenoxy)-1-phenylpropan-2-amine

C19H25NO — CID 107663944

IUPAC1-(4-butan-2-ylphenoxy)-1-phenylpropan-2-amine
SMILESCCC(C)c1ccc(OC(c2ccccc2)C(C)N)cc1
InChIInChI=1S/C19H25NO/c1-4-14(2)16-10-12-18(13-11-16)21-19(15(3)20)17-8-6-5-7-9-17/h5-15,19H,4,20H2,1-3H3
InChIKeyJSQBDXKEUFGZPJ-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.67
Rot. Bonds6

About 1-(4-butan-2-ylphenoxy)-1-phenylpropan-2-amine

1-(4-butan-2-ylphenoxy)-1-phenylpropan-2-amine (PubChem CID 107663944) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-(4-butan-2-ylphenoxy)-1-phenylpropan-2-amine.

Molecular Properties

Compound Name1-(4-butan-2-ylphenoxy)-1-phenylpropan-2-amine
PubChem CID107663944
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name1-(4-butan-2-ylphenoxy)-1-phenylpropan-2-amine
SMILESCCC(C)c1ccc(OC(c2ccccc2)C(C)N)cc1
InChIInChI=1S/C19H25NO/c1-4-14(2)16-10-12-18(13-11-16)21-19(15(3)20)17-8-6-5-7-9-17/h5-15,19H,4,20H2,1-3H3
InChIKeyJSQBDXKEUFGZPJ-UHFFFAOYSA-N
XLogP4.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-butan-2-yl-4-(1-phenylethoxy)benzene
CID 58079027
1-butan-2-yl-4-propan-2-yloxybenzene
CID 18730967
(1S)-1-[4-(1-phenylethoxy)phenyl]propan-1-amine
CID 78960186
1-(4-bromo-3-methylphenoxy)-1-phenylpropan-2-amine
CID 83133006
1-butan-2-yl-4-(3,3-dimethylbutan-2-yloxy)benzene
CID 159159765
1-(4-fluorophenyl)-1-phenoxybutan-2-amine
CID 55015456
(4-butan-2-ylphenyl)-(4-methoxyphenyl)methanamine
CID 43198098
2-(4-butan-2-ylphenoxy)propan-1-ol
CID 54018787
O-(2-amino-1-phenylpropyl)hydroxylamine
CID 54305698
3-amino-2-(4-butan-2-ylphenoxy)-4-methylpentan-1-ol
CID 107664252
1-[3-(4-butan-2-ylphenoxy)phenyl]ethanamine
CID 107665344
(1S)-1-[4-[(2S)-butan-2-yl]phenyl]ethanamine
CID 7026226

Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-ylphenoxy)-1-phenylpropan-2-amine?
The IUPAC name of 1-(4-butan-2-ylphenoxy)-1-phenylpropan-2-amine (CID 107663944) is 1-(4-butan-2-ylphenoxy)-1-phenylpropan-2-amine.
What is the SMILES notation for 1-(4-butan-2-ylphenoxy)-1-phenylpropan-2-amine?
The canonical SMILES for 1-(4-butan-2-ylphenoxy)-1-phenylpropan-2-amine is CCC(C)c1ccc(OC(c2ccccc2)C(C)N)cc1.
What is the InChIKey of 1-(4-butan-2-ylphenoxy)-1-phenylpropan-2-amine?
The InChIKey is JSQBDXKEUFGZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-4-14(2)16-10-12-18(13-11-16)21-19(15(3)20)17-8-6-5-7-9-17/h5-15,19H,4,20H2,1-3H3.
What are the key properties of 1-(4-butan-2-ylphenoxy)-1-phenylpropan-2-amine?
1-(4-butan-2-ylphenoxy)-1-phenylpropan-2-amine has a molecular weight of 283.42 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butan-2-ylphenoxy)-1-phenylpropan-2-amine is sourced from PubChem (CID 107663944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).