4-[[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline

C17H22N2 — CID 7567

IUPAC4-[[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(Cc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C17H22N2/c1-18(2)16-9-5-14(6-10-16)13-15-7-11-17(12-8-15)19(3)4/h5-12H,13H2,1-4H3
InChIKeyJNRLEMMIVRBKJE-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.41
Rot. Bonds4

About 4-[[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline

4-[[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline (PubChem CID 7567) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 4-[[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
PubChem CID7567
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name4-[[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(Cc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C17H22N2/c1-18(2)16-9-5-14(6-10-16)13-15-7-11-17(12-8-15)19(3)4/h5-12H,13H2,1-4H3
InChIKeyJNRLEMMIVRBKJE-UHFFFAOYSA-N
XLogP3.41
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}

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Related Compounds

4-[[4-[bis(chloromethyl)amino]phenyl]methyl]-N,N-dimethylaniline
CID 141389552
4-[[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline;toluene
CID 70469901
[4-(dimethylamino)phenyl]methyl-λ2-stannane
CID 174712145
2-[4-(dimethylamino)phenyl]acetaldehyde
CID 15114335
4-(aminomethyl)-N,N-dimethylaniline;methane;dihydrochloride
CID 123134602
4-[(2-ethenylphenyl)methyl]-N,N-dimethylaniline
CID 130274462
4-(2-amino-2-methylpropyl)-N,N-dimethylaniline
CID 3043620
4-(2-bromoprop-2-enyl)-N,N-dimethylaniline
CID 24721880
4-heptyl-N,N-dimethylaniline
CID 20777180
4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;ethane
CID 91522137
N,N-dimethyl-4-[1-[4-(methylaminomethyl)phenyl]ethyl]aniline
CID 153497957
2-[[4-(dimethylamino)phenyl]methyl]propanedioic acid
CID 15120645

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline (CID 7567) is 4-[[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline is CN(C)c1ccc(Cc2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 4-[[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline?
The InChIKey is JNRLEMMIVRBKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-18(2)16-9-5-14(6-10-16)13-15-7-11-17(12-8-15)19(3)4/h5-12H,13H2,1-4H3.
What are the key properties of 4-[[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline?
4-[[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline has a molecular weight of 254.38 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline is sourced from PubChem (CID 7567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).