[4-(2-methylpropyl)phenyl]methanamine

C11H17N — CID 15115778

IUPAC[4-(2-methylpropyl)phenyl]methanamine
SMILESCC(C)Cc1ccc(CN)cc1
InChIInChI=1S/C11H17N/c1-9(2)7-10-3-5-11(8-12)6-4-10/h3-6,9H,7-8,12H2,1-2H3
InChIKeyKKOAKBQTSJLRFC-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.34
Rot. Bonds3

About [4-(2-methylpropyl)phenyl]methanamine

[4-(2-methylpropyl)phenyl]methanamine (PubChem CID 15115778) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is [4-(2-methylpropyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(2-methylpropyl)phenyl]methanamine
PubChem CID15115778
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name[4-(2-methylpropyl)phenyl]methanamine
SMILESCC(C)Cc1ccc(CN)cc1
InChIInChI=1S/C11H17N/c1-9(2)7-10-3-5-11(8-12)6-4-10/h3-6,9H,7-8,12H2,1-2H3
InChIKeyKKOAKBQTSJLRFC-UHFFFAOYSA-N
XLogP2.34
TPSA26.02 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 ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methylpropyl)phenyl]methanamine?
The IUPAC name of [4-(2-methylpropyl)phenyl]methanamine (CID 15115778) is [4-(2-methylpropyl)phenyl]methanamine.
What is the SMILES notation for [4-(2-methylpropyl)phenyl]methanamine?
The canonical SMILES for [4-(2-methylpropyl)phenyl]methanamine is CC(C)Cc1ccc(CN)cc1.
What is the InChIKey of [4-(2-methylpropyl)phenyl]methanamine?
The InChIKey is KKOAKBQTSJLRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-9(2)7-10-3-5-11(8-12)6-4-10/h3-6,9H,7-8,12H2,1-2H3.
What are the key properties of [4-(2-methylpropyl)phenyl]methanamine?
[4-(2-methylpropyl)phenyl]methanamine has a molecular weight of 163.26 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylpropyl)phenyl]methanamine is sourced from PubChem (CID 15115778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).