2-(4-butylphenoxy)-2-(3-methylphenyl)ethanamine

C19H25NO — CID 115492332

IUPAC2-(4-butylphenoxy)-2-(3-methylphenyl)ethanamine
SMILESCCCCc1ccc(OC(CN)c2cccc(C)c2)cc1
InChIInChI=1S/C19H25NO/c1-3-4-7-16-9-11-18(12-10-16)21-19(14-20)17-8-5-6-15(2)13-17/h5-6,8-13,19H,3-4,7,14,20H2,1-2H3
InChIKeyQKTXWRZCPSUYMF-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.42
Rot. Bonds7

About 2-(4-butylphenoxy)-2-(3-methylphenyl)ethanamine

2-(4-butylphenoxy)-2-(3-methylphenyl)ethanamine (PubChem CID 115492332) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-(4-butylphenoxy)-2-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-butylphenoxy)-2-(3-methylphenyl)ethanamine
PubChem CID115492332
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name2-(4-butylphenoxy)-2-(3-methylphenyl)ethanamine
SMILESCCCCc1ccc(OC(CN)c2cccc(C)c2)cc1
InChIInChI=1S/C19H25NO/c1-3-4-7-16-9-11-18(12-10-16)21-19(14-20)17-8-5-6-15(2)13-17/h5-6,8-13,19H,3-4,7,14,20H2,1-2H3
InChIKeyQKTXWRZCPSUYMF-UHFFFAOYSA-N
XLogP4.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-butylphenoxy)-2-(3-methylphenyl)ethanamine?
The IUPAC name of 2-(4-butylphenoxy)-2-(3-methylphenyl)ethanamine (CID 115492332) is 2-(4-butylphenoxy)-2-(3-methylphenyl)ethanamine.
What is the SMILES notation for 2-(4-butylphenoxy)-2-(3-methylphenyl)ethanamine?
The canonical SMILES for 2-(4-butylphenoxy)-2-(3-methylphenyl)ethanamine is CCCCc1ccc(OC(CN)c2cccc(C)c2)cc1.
What is the InChIKey of 2-(4-butylphenoxy)-2-(3-methylphenyl)ethanamine?
The InChIKey is QKTXWRZCPSUYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-3-4-7-16-9-11-18(12-10-16)21-19(14-20)17-8-5-6-15(2)13-17/h5-6,8-13,19H,3-4,7,14,20H2,1-2H3.
What are the key properties of 2-(4-butylphenoxy)-2-(3-methylphenyl)ethanamine?
2-(4-butylphenoxy)-2-(3-methylphenyl)ethanamine has a molecular weight of 283.42 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylphenoxy)-2-(3-methylphenyl)ethanamine is sourced from PubChem (CID 115492332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).