1-[2-(4-tert-butylphenoxy)phenyl]ethane-1,2-diamine

C18H24N2O — CID 170894598

IUPAC1-[2-(4-tert-butylphenoxy)phenyl]ethane-1,2-diamine
SMILESCC(C)(C)c1ccc(Oc2ccccc2C(N)CN)cc1
InChIInChI=1S/C18H24N2O/c1-18(2,3)13-8-10-14(11-9-13)21-17-7-5-4-6-15(17)16(20)12-19/h4-11,16H,12,19-20H2,1-3H3
InChIKeyDWMDJIAKVSUMMG-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.73
Rot. Bonds4

About 1-[2-(4-tert-butylphenoxy)phenyl]ethane-1,2-diamine

1-[2-(4-tert-butylphenoxy)phenyl]ethane-1,2-diamine (PubChem CID 170894598) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-[2-(4-tert-butylphenoxy)phenyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-[2-(4-tert-butylphenoxy)phenyl]ethane-1,2-diamine
PubChem CID170894598
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name1-[2-(4-tert-butylphenoxy)phenyl]ethane-1,2-diamine
SMILESCC(C)(C)c1ccc(Oc2ccccc2C(N)CN)cc1
InChIInChI=1S/C18H24N2O/c1-18(2,3)13-8-10-14(11-9-13)21-17-7-5-4-6-15(17)16(20)12-19/h4-11,16H,12,19-20H2,1-3H3
InChIKeyDWMDJIAKVSUMMG-UHFFFAOYSA-N
XLogP3.73
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-tert-butylphenoxy)phenyl]ethane-1,2-diamine?
The IUPAC name of 1-[2-(4-tert-butylphenoxy)phenyl]ethane-1,2-diamine (CID 170894598) is 1-[2-(4-tert-butylphenoxy)phenyl]ethane-1,2-diamine.
What is the SMILES notation for 1-[2-(4-tert-butylphenoxy)phenyl]ethane-1,2-diamine?
The canonical SMILES for 1-[2-(4-tert-butylphenoxy)phenyl]ethane-1,2-diamine is CC(C)(C)c1ccc(Oc2ccccc2C(N)CN)cc1.
What is the InChIKey of 1-[2-(4-tert-butylphenoxy)phenyl]ethane-1,2-diamine?
The InChIKey is DWMDJIAKVSUMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-18(2,3)13-8-10-14(11-9-13)21-17-7-5-4-6-15(17)16(20)12-19/h4-11,16H,12,19-20H2,1-3H3.
What are the key properties of 1-[2-(4-tert-butylphenoxy)phenyl]ethane-1,2-diamine?
1-[2-(4-tert-butylphenoxy)phenyl]ethane-1,2-diamine has a molecular weight of 284.40 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-tert-butylphenoxy)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 170894598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).