2-methyl-2-(3-methyl-5-propan-2-ylphenoxy)propan-1-amine

C14H23NO — CID 62355629

IUPAC2-methyl-2-(3-methyl-5-propan-2-ylphenoxy)propan-1-amine
SMILESCc1cc(OC(C)(C)CN)cc(C(C)C)c1
InChIInChI=1S/C14H23NO/c1-10(2)12-6-11(3)7-13(8-12)16-14(4,5)9-15/h6-8,10H,9,15H2,1-5H3
InChIKeyGGVMMEAKOGQYRS-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.23
Rot. Bonds4

About 2-methyl-2-(3-methyl-5-propan-2-ylphenoxy)propan-1-amine

2-methyl-2-(3-methyl-5-propan-2-ylphenoxy)propan-1-amine (PubChem CID 62355629) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-methyl-2-(3-methyl-5-propan-2-ylphenoxy)propan-1-amine.

Molecular Properties

Compound Name2-methyl-2-(3-methyl-5-propan-2-ylphenoxy)propan-1-amine
PubChem CID62355629
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-methyl-2-(3-methyl-5-propan-2-ylphenoxy)propan-1-amine
SMILESCc1cc(OC(C)(C)CN)cc(C(C)C)c1
InChIInChI=1S/C14H23NO/c1-10(2)12-6-11(3)7-13(8-12)16-14(4,5)9-15/h6-8,10H,9,15H2,1-5H3
InChIKeyGGVMMEAKOGQYRS-UHFFFAOYSA-N
XLogP3.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(3-methyl-5-propan-2-ylphenoxy)propan-1-amine?
The IUPAC name of 2-methyl-2-(3-methyl-5-propan-2-ylphenoxy)propan-1-amine (CID 62355629) is 2-methyl-2-(3-methyl-5-propan-2-ylphenoxy)propan-1-amine.
What is the SMILES notation for 2-methyl-2-(3-methyl-5-propan-2-ylphenoxy)propan-1-amine?
The canonical SMILES for 2-methyl-2-(3-methyl-5-propan-2-ylphenoxy)propan-1-amine is Cc1cc(OC(C)(C)CN)cc(C(C)C)c1.
What is the InChIKey of 2-methyl-2-(3-methyl-5-propan-2-ylphenoxy)propan-1-amine?
The InChIKey is GGVMMEAKOGQYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-10(2)12-6-11(3)7-13(8-12)16-14(4,5)9-15/h6-8,10H,9,15H2,1-5H3.
What are the key properties of 2-methyl-2-(3-methyl-5-propan-2-ylphenoxy)propan-1-amine?
2-methyl-2-(3-methyl-5-propan-2-ylphenoxy)propan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(3-methyl-5-propan-2-ylphenoxy)propan-1-amine is sourced from PubChem (CID 62355629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).