N-[(4-methylphenyl)methyl]propan-2-amine

C11H17N — CID 17155633

IUPACN-[(4-methylphenyl)methyl]propan-2-amine
SMILESCc1ccc(CNC(C)C)cc1
InChIInChI=1S/C11H17N/c1-9(2)12-8-11-6-4-10(3)5-7-11/h4-7,9,12H,8H2,1-3H3
InChIKeyOOCHMURHBNXLEJ-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.49
Rot. Bonds3

About N-[(4-methylphenyl)methyl]propan-2-amine

N-[(4-methylphenyl)methyl]propan-2-amine (PubChem CID 17155633) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]propan-2-amine
PubChem CID17155633
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC NameN-[(4-methylphenyl)methyl]propan-2-amine
SMILESCc1ccc(CNC(C)C)cc1
InChIInChI=1S/C11H17N/c1-9(2)12-8-11-6-4-10(3)5-7-11/h4-7,9,12H,8H2,1-3H3
InChIKeyOOCHMURHBNXLEJ-UHFFFAOYSA-N
XLogP2.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]propan-2-amine?
The IUPAC name of N-[(4-methylphenyl)methyl]propan-2-amine (CID 17155633) is N-[(4-methylphenyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(4-methylphenyl)methyl]propan-2-amine?
The canonical SMILES for N-[(4-methylphenyl)methyl]propan-2-amine is Cc1ccc(CNC(C)C)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]propan-2-amine?
The InChIKey is OOCHMURHBNXLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-9(2)12-8-11-6-4-10(3)5-7-11/h4-7,9,12H,8H2,1-3H3.
What are the key properties of N-[(4-methylphenyl)methyl]propan-2-amine?
N-[(4-methylphenyl)methyl]propan-2-amine has a molecular weight of 163.26 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]propan-2-amine is sourced from PubChem (CID 17155633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).