3-(4-dodecylphenyl)-N,N-dimethylaniline

C26H39N — CID 57074168

IUPAC3-(4-dodecylphenyl)-N,N-dimethylaniline
SMILESCCCCCCCCCCCCc1ccc(-c2cccc(N(C)C)c2)cc1
InChIInChI=1S/C26H39N/c1-4-5-6-7-8-9-10-11-12-13-15-23-18-20-24(21-19-23)25-16-14-17-26(22-25)27(2)3/h14,16-22H,4-13,15H2,1-3H3
InChIKeyBEJGRVGHVRQWPO-UHFFFAOYSA-N
MW365.61 g/mol
LogP7.88
Rot. Bonds13

About 3-(4-dodecylphenyl)-N,N-dimethylaniline

3-(4-dodecylphenyl)-N,N-dimethylaniline (PubChem CID 57074168) has the molecular formula C26H39N and a molecular weight of 365.61 g/mol. Its IUPAC name is 3-(4-dodecylphenyl)-N,N-dimethylaniline.

Molecular Properties

Compound Name3-(4-dodecylphenyl)-N,N-dimethylaniline
PubChem CID57074168
Molecular FormulaC26H39N
Molecular Weight365.61 g/mol
Exact Mass365.31
IUPAC Name3-(4-dodecylphenyl)-N,N-dimethylaniline
SMILESCCCCCCCCCCCCc1ccc(-c2cccc(N(C)C)c2)cc1
InChIInChI=1S/C26H39N/c1-4-5-6-7-8-9-10-11-12-13-15-23-18-20-24(21-19-23)25-16-14-17-26(22-25)27(2)3/h14,16-22H,4-13,15H2,1-3H3
InChIKeyBEJGRVGHVRQWPO-UHFFFAOYSA-N
XLogP7.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.61
LogP ≤ 57.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis[4-[2-[4-(4-hexylphenyl)phenyl]ethyl]phenyl]benzene
CID 58085049
1,3-bis[4-[2-(4-hexylphenyl)ethyl]phenyl]benzene
CID 58085021
3-(4-hexylphenyl)-N-methyl-N-(4-methylphenyl)aniline
CID 163613245
1-butyl-3-(4-pentylphenyl)benzene
CID 123269594
1-pentadecyl-4-phenylbenzene
CID 57166115
4-heptyl-N,N-dimethylaniline
CID 20777180
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
6-decyl-2-(6-decylazulen-2-yl)azulene
CID 177425014
[4-[3-(dimethylamino)phenyl]phenyl]methanol
CID 142804587
1,3,5-tris(4-phenylphenyl)-2,4,6-tris(4-tetradecylphenyl)benzene
CID 132609480
N,N-diphenyl-4-tetradecylaniline
CID 170668082
4-hexyl-N,N-diphenylaniline
CID 20525221

Frequently Asked Questions

What is the IUPAC name of 3-(4-dodecylphenyl)-N,N-dimethylaniline?
The IUPAC name of 3-(4-dodecylphenyl)-N,N-dimethylaniline (CID 57074168) is 3-(4-dodecylphenyl)-N,N-dimethylaniline.
What is the SMILES notation for 3-(4-dodecylphenyl)-N,N-dimethylaniline?
The canonical SMILES for 3-(4-dodecylphenyl)-N,N-dimethylaniline is CCCCCCCCCCCCc1ccc(-c2cccc(N(C)C)c2)cc1.
What is the InChIKey of 3-(4-dodecylphenyl)-N,N-dimethylaniline?
The InChIKey is BEJGRVGHVRQWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N/c1-4-5-6-7-8-9-10-11-12-13-15-23-18-20-24(21-19-23)25-16-14-17-26(22-25)27(2)3/h14,16-22H,4-13,15H2,1-3H3.
What are the key properties of 3-(4-dodecylphenyl)-N,N-dimethylaniline?
3-(4-dodecylphenyl)-N,N-dimethylaniline has a molecular weight of 365.61 g/mol, XLogP of 7.88, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-dodecylphenyl)-N,N-dimethylaniline is sourced from PubChem (CID 57074168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).