4-(6-bromohexyl)-N,N-dimethylaniline

C14H22BrN — CID 142754958

IUPAC4-(6-bromohexyl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(CCCCCCBr)cc1
InChIInChI=1S/C14H22BrN/c1-16(2)14-10-8-13(9-11-14)7-5-3-4-6-12-15/h8-11H,3-7,12H2,1-2H3
InChIKeyPETWYYGJGUZONB-UHFFFAOYSA-N
MW284.24 g/mol
LogP4.25
Rot. Bonds7

About 4-(6-bromohexyl)-N,N-dimethylaniline

4-(6-bromohexyl)-N,N-dimethylaniline (PubChem CID 142754958) has the molecular formula C14H22BrN and a molecular weight of 284.24 g/mol. Its IUPAC name is 4-(6-bromohexyl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(6-bromohexyl)-N,N-dimethylaniline
PubChem CID142754958
Molecular FormulaC14H22BrN
Molecular Weight284.24 g/mol
Exact Mass283.09
IUPAC Name4-(6-bromohexyl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(CCCCCCBr)cc1
InChIInChI=1S/C14H22BrN/c1-16(2)14-10-8-13(9-11-14)7-5-3-4-6-12-15/h8-11H,3-7,12H2,1-2H3
InChIKeyPETWYYGJGUZONB-UHFFFAOYSA-N
XLogP4.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,4-bis(8-bromooctyl)benzene
CID 19907449
4-heptyl-N,N-dimethylaniline
CID 20777180
1-(10-bromodecyl)-4-chlorobenzene
CID 10782757
N,N-dimethyl-4-(8-propan-2-ylsulfonyloctyl)aniline
CID 59545884
N,N-dimethyl-4-(6-naphthalen-1-ylhexyl)aniline
CID 132545214
4-(5-iminopentyl)-N,N-dimethylaniline
CID 87880589
4-[3-[dichloro(methyl)silyl]propyl]-N,N-dimethylaniline
CID 54277336
4-[3-[4-(dimethylamino)phenyl]propyl]benzonitrile
CID 71380052
[4-(dimethylamino)phenyl]methyl-λ2-stannane
CID 174712145
1-(2-bromoethyl)-4-decylbenzene
CID 70453406
1-N,1-N,4-N,4-N-tetrakis(4-octylphenyl)benzene-1,4-diamine
CID 59470455
4-(6-bromohexyl)pyridine
CID 10633887

Frequently Asked Questions

What is the IUPAC name of 4-(6-bromohexyl)-N,N-dimethylaniline?
The IUPAC name of 4-(6-bromohexyl)-N,N-dimethylaniline (CID 142754958) is 4-(6-bromohexyl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(6-bromohexyl)-N,N-dimethylaniline?
The canonical SMILES for 4-(6-bromohexyl)-N,N-dimethylaniline is CN(C)c1ccc(CCCCCCBr)cc1.
What is the InChIKey of 4-(6-bromohexyl)-N,N-dimethylaniline?
The InChIKey is PETWYYGJGUZONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN/c1-16(2)14-10-8-13(9-11-14)7-5-3-4-6-12-15/h8-11H,3-7,12H2,1-2H3.
What are the key properties of 4-(6-bromohexyl)-N,N-dimethylaniline?
4-(6-bromohexyl)-N,N-dimethylaniline has a molecular weight of 284.24 g/mol, XLogP of 4.25, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromohexyl)-N,N-dimethylaniline is sourced from PubChem (CID 142754958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).