4-methyl-2-phenylpentan-2-amine

C12H19N — CID 43810030

IUPAC4-methyl-2-phenylpentan-2-amine
SMILESCC(C)CC(C)(N)c1ccccc1
InChIInChI=1S/C12H19N/c1-10(2)9-12(3,13)11-7-5-4-6-8-11/h4-8,10H,9,13H2,1-3H3
InChIKeyRCRLWOMUBRFALY-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.91
Rot. Bonds3

About 4-methyl-2-phenylpentan-2-amine

4-methyl-2-phenylpentan-2-amine (PubChem CID 43810030) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 4-methyl-2-phenylpentan-2-amine.

Molecular Properties

Compound Name4-methyl-2-phenylpentan-2-amine
PubChem CID43810030
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name4-methyl-2-phenylpentan-2-amine
SMILESCC(C)CC(C)(N)c1ccccc1
InChIInChI=1S/C12H19N/c1-10(2)9-12(3,13)11-7-5-4-6-8-11/h4-8,10H,9,13H2,1-3H3
InChIKeyRCRLWOMUBRFALY-UHFFFAOYSA-N
XLogP2.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenylpentan-2-amine?
The IUPAC name of 4-methyl-2-phenylpentan-2-amine (CID 43810030) is 4-methyl-2-phenylpentan-2-amine.
What is the SMILES notation for 4-methyl-2-phenylpentan-2-amine?
The canonical SMILES for 4-methyl-2-phenylpentan-2-amine is CC(C)CC(C)(N)c1ccccc1.
What is the InChIKey of 4-methyl-2-phenylpentan-2-amine?
The InChIKey is RCRLWOMUBRFALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-10(2)9-12(3,13)11-7-5-4-6-8-11/h4-8,10H,9,13H2,1-3H3.
What are the key properties of 4-methyl-2-phenylpentan-2-amine?
4-methyl-2-phenylpentan-2-amine has a molecular weight of 177.29 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenylpentan-2-amine is sourced from PubChem (CID 43810030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).