3-methyl-2-phenylhexan-2-amine

C13H21N — CID 107892285

IUPAC3-methyl-2-phenylhexan-2-amine
SMILESCCCC(C)C(C)(N)c1ccccc1
InChIInChI=1S/C13H21N/c1-4-8-11(2)13(3,14)12-9-6-5-7-10-12/h5-7,9-11H,4,8,14H2,1-3H3
InChIKeyGZNFTJGDIRLOOF-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.30
Rot. Bonds4

About 3-methyl-2-phenylhexan-2-amine

3-methyl-2-phenylhexan-2-amine (PubChem CID 107892285) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 3-methyl-2-phenylhexan-2-amine.

Molecular Properties

Compound Name3-methyl-2-phenylhexan-2-amine
PubChem CID107892285
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name3-methyl-2-phenylhexan-2-amine
SMILESCCCC(C)C(C)(N)c1ccccc1
InChIInChI=1S/C13H21N/c1-4-8-11(2)13(3,14)12-9-6-5-7-10-12/h5-7,9-11H,4,8,14H2,1-3H3
InChIKeyGZNFTJGDIRLOOF-UHFFFAOYSA-N
XLogP3.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Mephentermine
CID 3677
Phentermine
CID 4771
1-Phenethylamine
CID 7408
Phentermine Hydrochloride
CID 70969
N-ethyl-1-phenylcyclohexanamine
CID 16622
1-Phenethylamine, (-)-
CID 75818
1-Phenethylamine, (+)-
CID 643189
2-Phenylpropylamine
CID 11398
1-Phenylcyclohexylamine
CID 31862
Cyclohexanamine, 1-phenyl-, hydrochloride (1:1)
CID 200391
2-Methylbenzylamine
CID 6993
1-(4-Methylphenyl)ethylamine
CID 577386

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-phenylhexan-2-amine?
The IUPAC name of 3-methyl-2-phenylhexan-2-amine (CID 107892285) is 3-methyl-2-phenylhexan-2-amine.
What is the SMILES notation for 3-methyl-2-phenylhexan-2-amine?
The canonical SMILES for 3-methyl-2-phenylhexan-2-amine is CCCC(C)C(C)(N)c1ccccc1.
What is the InChIKey of 3-methyl-2-phenylhexan-2-amine?
The InChIKey is GZNFTJGDIRLOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-4-8-11(2)13(3,14)12-9-6-5-7-10-12/h5-7,9-11H,4,8,14H2,1-3H3.
What are the key properties of 3-methyl-2-phenylhexan-2-amine?
3-methyl-2-phenylhexan-2-amine has a molecular weight of 191.32 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-phenylhexan-2-amine is sourced from PubChem (CID 107892285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).