2-methyl-1-phenylpropan-2-amine

C10H15N — CID 4771

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IUPAC2-methyl-1-phenylpropan-2-amine
SMILESCC(C)(N)Cc1ccccc1
InChIInChI=1S/C10H15N/c1-10(2,11)8-9-6-4-3-5-7-9/h3-7H,8,11H2,1-2H3
InChIKeyDHHVAGZRUROJKS-UHFFFAOYSA-N
MW149.24 g/mol
LogP1.97
Rot. Bonds2

About 2-methyl-1-phenylpropan-2-amine

2-methyl-1-phenylpropan-2-amine (PubChem CID 4771) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 2-methyl-1-phenylpropan-2-amine.

Molecular Properties

Compound Name2-methyl-1-phenylpropan-2-amine
PubChem CID4771
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name2-methyl-1-phenylpropan-2-amine
SMILESCC(C)(N)Cc1ccccc1
InChIInChI=1S/C10H15N/c1-10(2,11)8-9-6-4-3-5-7-9/h3-7H,8,11H2,1-2H3
InChIKeyDHHVAGZRUROJKS-UHFFFAOYSA-N
XLogP1.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-phenylpropan-2-amine?
The IUPAC name of 2-methyl-1-phenylpropan-2-amine (CID 4771) is 2-methyl-1-phenylpropan-2-amine.
What is the SMILES notation for 2-methyl-1-phenylpropan-2-amine?
The canonical SMILES for 2-methyl-1-phenylpropan-2-amine is CC(C)(N)Cc1ccccc1.
What is the InChIKey of 2-methyl-1-phenylpropan-2-amine?
The InChIKey is DHHVAGZRUROJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-10(2,11)8-9-6-4-3-5-7-9/h3-7H,8,11H2,1-2H3.
What are the key properties of 2-methyl-1-phenylpropan-2-amine?
2-methyl-1-phenylpropan-2-amine has a molecular weight of 149.24 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-phenylpropan-2-amine is sourced from PubChem (CID 4771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).