3,3-dimethyl-1-phenylbutan-2-amine

C12H19N — CID 3742016

IUPAC3,3-dimethyl-1-phenylbutan-2-amine
SMILESCC(C)(C)C(N)Cc1ccccc1
InChIInChI=1S/C12H19N/c1-12(2,3)11(13)9-10-7-5-4-6-8-10/h4-8,11H,9,13H2,1-3H3
InChIKeyOTRQGAZWLJRILG-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.60
Rot. Bonds2

About 3,3-dimethyl-1-phenylbutan-2-amine

3,3-dimethyl-1-phenylbutan-2-amine (PubChem CID 3742016) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 3,3-dimethyl-1-phenylbutan-2-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-phenylbutan-2-amine
PubChem CID3742016
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name3,3-dimethyl-1-phenylbutan-2-amine
SMILESCC(C)(C)C(N)Cc1ccccc1
InChIInChI=1S/C12H19N/c1-12(2,3)11(13)9-10-7-5-4-6-8-10/h4-8,11H,9,13H2,1-3H3
InChIKeyOTRQGAZWLJRILG-UHFFFAOYSA-N
XLogP2.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-phenylbutan-2-amine?
The IUPAC name of 3,3-dimethyl-1-phenylbutan-2-amine (CID 3742016) is 3,3-dimethyl-1-phenylbutan-2-amine.
What is the SMILES notation for 3,3-dimethyl-1-phenylbutan-2-amine?
The canonical SMILES for 3,3-dimethyl-1-phenylbutan-2-amine is CC(C)(C)C(N)Cc1ccccc1.
What is the InChIKey of 3,3-dimethyl-1-phenylbutan-2-amine?
The InChIKey is OTRQGAZWLJRILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-12(2,3)11(13)9-10-7-5-4-6-8-10/h4-8,11H,9,13H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-phenylbutan-2-amine?
3,3-dimethyl-1-phenylbutan-2-amine has a molecular weight of 177.29 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-phenylbutan-2-amine is sourced from PubChem (CID 3742016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).