3-(3-bromo-N,4-dimethylanilino)propan-1-ol

C11H16BrNO — CID 82120880

IUPAC3-(3-bromo-N,4-dimethylanilino)propan-1-ol
SMILESCc1ccc(N(C)CCCO)cc1Br
InChIInChI=1S/C11H16BrNO/c1-9-4-5-10(8-11(9)12)13(2)6-3-7-14/h4-5,8,14H,3,6-7H2,1-2H3
InChIKeyFZYQFNYOBFERCY-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.58
Rot. Bonds4

About 3-(3-bromo-N,4-dimethylanilino)propan-1-ol

3-(3-bromo-N,4-dimethylanilino)propan-1-ol (PubChem CID 82120880) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is 3-(3-bromo-N,4-dimethylanilino)propan-1-ol.

Molecular Properties

Compound Name3-(3-bromo-N,4-dimethylanilino)propan-1-ol
PubChem CID82120880
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name3-(3-bromo-N,4-dimethylanilino)propan-1-ol
SMILESCc1ccc(N(C)CCCO)cc1Br
InChIInChI=1S/C11H16BrNO/c1-9-4-5-10(8-11(9)12)13(2)6-3-7-14/h4-5,8,14H,3,6-7H2,1-2H3
InChIKeyFZYQFNYOBFERCY-UHFFFAOYSA-N
XLogP2.58
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-N,3-dimethylanilino)ethanol
CID 82117999
3-(3,4-difluoro-N-methylanilino)propan-1-ol
CID 110903439
3-(3,4-dichloro-N-methylanilino)propan-1-ol
CID 82116339
N'-hydroxy-4-[3-hydroxypropyl(methyl)amino]-2-methylbenzenecarboximidamide
CID 114230242
2-[4-(aminomethyl)-3-bromo-N-methylanilino]ethanol
CID 107274749
2-bromo-4-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-1-methylbenzene
CID 114134965
5-(N,4-dimethylanilino)pentan-1-ol
CID 62226910
3-(4-tert-butyl-N-methylanilino)propan-1-ol
CID 94258791
3-(4-amino-3-ethyl-N-methylanilino)propan-1-ol
CID 22706869
5-[N,3-dimethyl-4-(methylaminomethyl)anilino]pentan-1-ol
CID 107201156
N-(3-bromo-4-methylphenyl)-2-chloro-N-methylacetamide
CID 82093740
6-(N,3-dimethylanilino)hexan-1-ol
CID 103737894

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-N,4-dimethylanilino)propan-1-ol?
The IUPAC name of 3-(3-bromo-N,4-dimethylanilino)propan-1-ol (CID 82120880) is 3-(3-bromo-N,4-dimethylanilino)propan-1-ol.
What is the SMILES notation for 3-(3-bromo-N,4-dimethylanilino)propan-1-ol?
The canonical SMILES for 3-(3-bromo-N,4-dimethylanilino)propan-1-ol is Cc1ccc(N(C)CCCO)cc1Br.
What is the InChIKey of 3-(3-bromo-N,4-dimethylanilino)propan-1-ol?
The InChIKey is FZYQFNYOBFERCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-9-4-5-10(8-11(9)12)13(2)6-3-7-14/h4-5,8,14H,3,6-7H2,1-2H3.
What are the key properties of 3-(3-bromo-N,4-dimethylanilino)propan-1-ol?
3-(3-bromo-N,4-dimethylanilino)propan-1-ol has a molecular weight of 258.16 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-N,4-dimethylanilino)propan-1-ol is sourced from PubChem (CID 82120880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).