4-[(dimethylamino)methyl]-3-methylaniline

C10H16N2 — CID 67304575

IUPAC4-[(dimethylamino)methyl]-3-methylaniline
SMILESCc1cc(N)ccc1CN(C)C
InChIInChI=1S/C10H16N2/c1-8-6-10(11)5-4-9(8)7-12(2)3/h4-6H,7,11H2,1-3H3
InChIKeyLWVJANMCUNEPPA-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.64
Rot. Bonds2

About 4-[(dimethylamino)methyl]-3-methylaniline

4-[(dimethylamino)methyl]-3-methylaniline (PubChem CID 67304575) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]-3-methylaniline.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]-3-methylaniline
PubChem CID67304575
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name4-[(dimethylamino)methyl]-3-methylaniline
SMILESCc1cc(N)ccc1CN(C)C
InChIInChI=1S/C10H16N2/c1-8-6-10(11)5-4-9(8)7-12(2)3/h4-6H,7,11H2,1-3H3
InChIKeyLWVJANMCUNEPPA-UHFFFAOYSA-N
XLogP1.64
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]-3-methylaniline?
The IUPAC name of 4-[(dimethylamino)methyl]-3-methylaniline (CID 67304575) is 4-[(dimethylamino)methyl]-3-methylaniline.
What is the SMILES notation for 4-[(dimethylamino)methyl]-3-methylaniline?
The canonical SMILES for 4-[(dimethylamino)methyl]-3-methylaniline is Cc1cc(N)ccc1CN(C)C.
What is the InChIKey of 4-[(dimethylamino)methyl]-3-methylaniline?
The InChIKey is LWVJANMCUNEPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-8-6-10(11)5-4-9(8)7-12(2)3/h4-6H,7,11H2,1-3H3.
What are the key properties of 4-[(dimethylamino)methyl]-3-methylaniline?
4-[(dimethylamino)methyl]-3-methylaniline has a molecular weight of 164.25 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]-3-methylaniline is sourced from PubChem (CID 67304575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).