2-[4-(aminomethyl)phenyl]-N,N-dimethylethanamine

C11H18N2 — CID 46173603

IUPAC2-[4-(aminomethyl)phenyl]-N,N-dimethylethanamine
SMILESCN(C)CCc1ccc(CN)cc1
InChIInChI=1S/C11H18N2/c1-13(2)8-7-10-3-5-11(9-12)6-4-10/h3-6H,7-9,12H2,1-2H3
InChIKeyODSFRAJKARZHQP-UHFFFAOYSA-N
MW178.28 g/mol
LogP1.25
Rot. Bonds4

About 2-[4-(aminomethyl)phenyl]-N,N-dimethylethanamine

2-[4-(aminomethyl)phenyl]-N,N-dimethylethanamine (PubChem CID 46173603) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 2-[4-(aminomethyl)phenyl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-(aminomethyl)phenyl]-N,N-dimethylethanamine
PubChem CID46173603
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name2-[4-(aminomethyl)phenyl]-N,N-dimethylethanamine
SMILESCN(C)CCc1ccc(CN)cc1
InChIInChI=1S/C11H18N2/c1-13(2)8-7-10-3-5-11(9-12)6-4-10/h3-6H,7-9,12H2,1-2H3
InChIKeyODSFRAJKARZHQP-UHFFFAOYSA-N
XLogP1.25
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)phenyl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-(aminomethyl)phenyl]-N,N-dimethylethanamine (CID 46173603) is 2-[4-(aminomethyl)phenyl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-(aminomethyl)phenyl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-(aminomethyl)phenyl]-N,N-dimethylethanamine is CN(C)CCc1ccc(CN)cc1.
What is the InChIKey of 2-[4-(aminomethyl)phenyl]-N,N-dimethylethanamine?
The InChIKey is ODSFRAJKARZHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-13(2)8-7-10-3-5-11(9-12)6-4-10/h3-6H,7-9,12H2,1-2H3.
What are the key properties of 2-[4-(aminomethyl)phenyl]-N,N-dimethylethanamine?
2-[4-(aminomethyl)phenyl]-N,N-dimethylethanamine has a molecular weight of 178.28 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)phenyl]-N,N-dimethylethanamine is sourced from PubChem (CID 46173603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).