[2-[4-(2-methylbutan-2-yloxymethyl)phenyl]phenyl]methanamine

C19H25NO — CID 28996319

IUPAC[2-[4-(2-methylbutan-2-yloxymethyl)phenyl]phenyl]methanamine
SMILESCCC(C)(C)OCc1ccc(-c2ccccc2CN)cc1
InChIInChI=1S/C19H25NO/c1-4-19(2,3)21-14-15-9-11-16(12-10-15)18-8-6-5-7-17(18)13-20/h5-12H,4,13-14,20H2,1-3H3
InChIKeyDPWGIKINPOTFJA-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.52
Rot. Bonds6

About [2-[4-(2-methylbutan-2-yloxymethyl)phenyl]phenyl]methanamine

[2-[4-(2-methylbutan-2-yloxymethyl)phenyl]phenyl]methanamine (PubChem CID 28996319) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is [2-[4-(2-methylbutan-2-yloxymethyl)phenyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-[4-(2-methylbutan-2-yloxymethyl)phenyl]phenyl]methanamine
PubChem CID28996319
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name[2-[4-(2-methylbutan-2-yloxymethyl)phenyl]phenyl]methanamine
SMILESCCC(C)(C)OCc1ccc(-c2ccccc2CN)cc1
InChIInChI=1S/C19H25NO/c1-4-19(2,3)21-14-15-9-11-16(12-10-15)18-8-6-5-7-17(18)13-20/h5-12H,4,13-14,20H2,1-3H3
InChIKeyDPWGIKINPOTFJA-UHFFFAOYSA-N
XLogP4.52
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 ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-[4-(2-methylbutan-2-yloxymethyl)phenyl]phenyl]methanamine?
The IUPAC name of [2-[4-(2-methylbutan-2-yloxymethyl)phenyl]phenyl]methanamine (CID 28996319) is [2-[4-(2-methylbutan-2-yloxymethyl)phenyl]phenyl]methanamine.
What is the SMILES notation for [2-[4-(2-methylbutan-2-yloxymethyl)phenyl]phenyl]methanamine?
The canonical SMILES for [2-[4-(2-methylbutan-2-yloxymethyl)phenyl]phenyl]methanamine is CCC(C)(C)OCc1ccc(-c2ccccc2CN)cc1.
What is the InChIKey of [2-[4-(2-methylbutan-2-yloxymethyl)phenyl]phenyl]methanamine?
The InChIKey is DPWGIKINPOTFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-4-19(2,3)21-14-15-9-11-16(12-10-15)18-8-6-5-7-17(18)13-20/h5-12H,4,13-14,20H2,1-3H3.
What are the key properties of [2-[4-(2-methylbutan-2-yloxymethyl)phenyl]phenyl]methanamine?
[2-[4-(2-methylbutan-2-yloxymethyl)phenyl]phenyl]methanamine has a molecular weight of 283.42 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(2-methylbutan-2-yloxymethyl)phenyl]phenyl]methanamine is sourced from PubChem (CID 28996319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).