2-methyl-1-(4-propan-2-ylphenyl)propan-1-amine

C13H21N — CID 4962455

IUPAC2-methyl-1-(4-propan-2-ylphenyl)propan-1-amine
SMILESCC(C)c1ccc(C(N)C(C)C)cc1
InChIInChI=1S/C13H21N/c1-9(2)11-5-7-12(8-6-11)13(14)10(3)4/h5-10,13H,14H2,1-4H3
InChIKeyQRCHQGBLIXDUTD-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.47
Rot. Bonds3

About 2-methyl-1-(4-propan-2-ylphenyl)propan-1-amine

2-methyl-1-(4-propan-2-ylphenyl)propan-1-amine (PubChem CID 4962455) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 2-methyl-1-(4-propan-2-ylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-1-(4-propan-2-ylphenyl)propan-1-amine
PubChem CID4962455
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name2-methyl-1-(4-propan-2-ylphenyl)propan-1-amine
SMILESCC(C)c1ccc(C(N)C(C)C)cc1
InChIInChI=1S/C13H21N/c1-9(2)11-5-7-12(8-6-11)13(14)10(3)4/h5-10,13H,14H2,1-4H3
InChIKeyQRCHQGBLIXDUTD-UHFFFAOYSA-N
XLogP3.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-propan-2-ylphenyl)propan-1-amine?
The IUPAC name of 2-methyl-1-(4-propan-2-ylphenyl)propan-1-amine (CID 4962455) is 2-methyl-1-(4-propan-2-ylphenyl)propan-1-amine.
What is the SMILES notation for 2-methyl-1-(4-propan-2-ylphenyl)propan-1-amine?
The canonical SMILES for 2-methyl-1-(4-propan-2-ylphenyl)propan-1-amine is CC(C)c1ccc(C(N)C(C)C)cc1.
What is the InChIKey of 2-methyl-1-(4-propan-2-ylphenyl)propan-1-amine?
The InChIKey is QRCHQGBLIXDUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-9(2)11-5-7-12(8-6-11)13(14)10(3)4/h5-10,13H,14H2,1-4H3.
What are the key properties of 2-methyl-1-(4-propan-2-ylphenyl)propan-1-amine?
2-methyl-1-(4-propan-2-ylphenyl)propan-1-amine has a molecular weight of 191.32 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-propan-2-ylphenyl)propan-1-amine is sourced from PubChem (CID 4962455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).