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

C19H25NO — CID 63461761

IUPAC2-(3-tert-butylphenoxy)-2-(4-methylphenyl)ethanamine
SMILESCc1ccc(C(CN)Oc2cccc(C(C)(C)C)c2)cc1
InChIInChI=1S/C19H25NO/c1-14-8-10-15(11-9-14)18(13-20)21-17-7-5-6-16(12-17)19(2,3)4/h5-12,18H,13,20H2,1-4H3
InChIKeyIBMDUASUSIXHIQ-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.37
Rot. Bonds4

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

2-(3-tert-butylphenoxy)-2-(4-methylphenyl)ethanamine (PubChem CID 63461761) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-(3-tert-butylphenoxy)-2-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-tert-butylphenoxy)-2-(4-methylphenyl)ethanamine
PubChem CID63461761
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name2-(3-tert-butylphenoxy)-2-(4-methylphenyl)ethanamine
SMILESCc1ccc(C(CN)Oc2cccc(C(C)(C)C)c2)cc1
InChIInChI=1S/C19H25NO/c1-14-8-10-15(11-9-14)18(13-20)21-17-7-5-6-16(12-17)19(2,3)4/h5-12,18H,13,20H2,1-4H3
InChIKeyIBMDUASUSIXHIQ-UHFFFAOYSA-N
XLogP4.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-2-(3-methylphenoxy)ethanamine
CID 55015152
2-(4-chloro-3-fluorophenoxy)-2-(4-methylphenyl)ethanamine
CID 82716544
3-(3-tert-butylphenoxy)butan-1-amine
CID 70646087
2-(3-methoxyphenoxy)-2-phenylethanamine
CID 55017396
2-(3-chlorophenyl)-2-(4-methylphenoxy)ethanamine
CID 55019896
2-(4-tert-butylphenoxy)-2-(3-chlorophenyl)ethanamine
CID 63458293
2-(3-ethylphenoxy)-2-(4-fluorophenyl)ethanamine
CID 55015460
ethyl 2-(3-tert-butylphenoxy)butanoate
CID 63001634
2-phenoxy-2-phenylethanamine chloride
CID 21228850
2-phenoxy-2-phenylethanamine;sulfane
CID 174620608
1-amino-2-[3-(difluoromethoxy)phenyl]propan-2-ol
CID 107105450
2-(4-chloro-3-methylphenoxy)-2-(3-methylphenyl)ethanamine
CID 55020229

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butylphenoxy)-2-(4-methylphenyl)ethanamine?
The IUPAC name of 2-(3-tert-butylphenoxy)-2-(4-methylphenyl)ethanamine (CID 63461761) is 2-(3-tert-butylphenoxy)-2-(4-methylphenyl)ethanamine.
What is the SMILES notation for 2-(3-tert-butylphenoxy)-2-(4-methylphenyl)ethanamine?
The canonical SMILES for 2-(3-tert-butylphenoxy)-2-(4-methylphenyl)ethanamine is Cc1ccc(C(CN)Oc2cccc(C(C)(C)C)c2)cc1.
What is the InChIKey of 2-(3-tert-butylphenoxy)-2-(4-methylphenyl)ethanamine?
The InChIKey is IBMDUASUSIXHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-14-8-10-15(11-9-14)18(13-20)21-17-7-5-6-16(12-17)19(2,3)4/h5-12,18H,13,20H2,1-4H3.
What are the key properties of 2-(3-tert-butylphenoxy)-2-(4-methylphenyl)ethanamine?
2-(3-tert-butylphenoxy)-2-(4-methylphenyl)ethanamine has a molecular weight of 283.42 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butylphenoxy)-2-(4-methylphenyl)ethanamine is sourced from PubChem (CID 63461761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).