3-[4-(dimethylamino)phenyl]aniline

C14H16N2 — CID 3274654

IUPAC3-[4-(dimethylamino)phenyl]aniline
SMILESCN(C)c1ccc(-c2cccc(N)c2)cc1
InChIInChI=1S/C14H16N2/c1-16(2)14-8-6-11(7-9-14)12-4-3-5-13(15)10-12/h3-10H,15H2,1-2H3
InChIKeyLYFZESCMIGUOPB-UHFFFAOYSA-N
MW212.30 g/mol
LogP3.00
Rot. Bonds2

About 3-[4-(dimethylamino)phenyl]aniline

3-[4-(dimethylamino)phenyl]aniline (PubChem CID 3274654) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 3-[4-(dimethylamino)phenyl]aniline.

Molecular Properties

Compound Name3-[4-(dimethylamino)phenyl]aniline
PubChem CID3274654
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name3-[4-(dimethylamino)phenyl]aniline
SMILESCN(C)c1ccc(-c2cccc(N)c2)cc1
InChIInChI=1S/C14H16N2/c1-16(2)14-8-6-11(7-9-14)12-4-3-5-13(15)10-12/h3-10H,15H2,1-2H3
InChIKeyLYFZESCMIGUOPB-UHFFFAOYSA-N
XLogP3.00
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 53.00
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 3-[4-(dimethylamino)phenyl]aniline?
The IUPAC name of 3-[4-(dimethylamino)phenyl]aniline (CID 3274654) is 3-[4-(dimethylamino)phenyl]aniline.
What is the SMILES notation for 3-[4-(dimethylamino)phenyl]aniline?
The canonical SMILES for 3-[4-(dimethylamino)phenyl]aniline is CN(C)c1ccc(-c2cccc(N)c2)cc1.
What is the InChIKey of 3-[4-(dimethylamino)phenyl]aniline?
The InChIKey is LYFZESCMIGUOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-16(2)14-8-6-11(7-9-14)12-4-3-5-13(15)10-12/h3-10H,15H2,1-2H3.
What are the key properties of 3-[4-(dimethylamino)phenyl]aniline?
3-[4-(dimethylamino)phenyl]aniline has a molecular weight of 212.30 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)phenyl]aniline is sourced from PubChem (CID 3274654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).