4-(2,5-dimethoxy-N,4-dimethylanilino)butan-1-ol

C14H23NO3 — CID 115217502

IUPAC4-(2,5-dimethoxy-N,4-dimethylanilino)butan-1-ol
SMILESCOc1cc(N(C)CCCCO)c(OC)cc1C
InChIInChI=1S/C14H23NO3/c1-11-9-14(18-4)12(10-13(11)17-3)15(2)7-5-6-8-16/h9-10,16H,5-8H2,1-4H3
InChIKeyRNUMASZEXBQWIJ-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.22
Rot. Bonds7

About 4-(2,5-dimethoxy-N,4-dimethylanilino)butan-1-ol

4-(2,5-dimethoxy-N,4-dimethylanilino)butan-1-ol (PubChem CID 115217502) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 4-(2,5-dimethoxy-N,4-dimethylanilino)butan-1-ol.

Molecular Properties

Compound Name4-(2,5-dimethoxy-N,4-dimethylanilino)butan-1-ol
PubChem CID115217502
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name4-(2,5-dimethoxy-N,4-dimethylanilino)butan-1-ol
SMILESCOc1cc(N(C)CCCCO)c(OC)cc1C
InChIInChI=1S/C14H23NO3/c1-11-9-14(18-4)12(10-13(11)17-3)15(2)7-5-6-8-16/h9-10,16H,5-8H2,1-4H3
InChIKeyRNUMASZEXBQWIJ-UHFFFAOYSA-N
XLogP2.22
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxy-N,2,5-trimethylanilino)ethanol
CID 115216098
N-(2-chloroethyl)-2,5-dimethoxy-N,4-dimethylaniline
CID 115214731
4-(2,5-dimethoxy-N,4-dimethylanilino)butan-2-one
CID 115235537
4-(2,5-dimethoxy-N-methylanilino)butan-1-ol
CID 115217449
5-(4-methoxy-N,2,5-trimethylanilino)pentan-2-one
CID 115236337
4-(5-tert-butyl-2-methoxy-N-methylanilino)butan-1-ol
CID 115217458
3-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]propan-1-ol
CID 115216939
N-(bromomethyl)-2-methoxy-N,4,5-trimethylaniline
CID 115261698
N,N-diethyl-2,5-dimethoxy-4-methylaniline
CID 59791351
(2-methoxy-N,4,5-trimethylanilino)methanethiol
CID 115227745
2-(4,5-dimethoxy-N,2-dimethylanilino)ethanethiol
CID 115223827
N'-(4,5-dimethoxy-2-methylphenyl)-N'-methylethane-1,2-diamine
CID 96672674

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethoxy-N,4-dimethylanilino)butan-1-ol?
The IUPAC name of 4-(2,5-dimethoxy-N,4-dimethylanilino)butan-1-ol (CID 115217502) is 4-(2,5-dimethoxy-N,4-dimethylanilino)butan-1-ol.
What is the SMILES notation for 4-(2,5-dimethoxy-N,4-dimethylanilino)butan-1-ol?
The canonical SMILES for 4-(2,5-dimethoxy-N,4-dimethylanilino)butan-1-ol is COc1cc(N(C)CCCCO)c(OC)cc1C.
What is the InChIKey of 4-(2,5-dimethoxy-N,4-dimethylanilino)butan-1-ol?
The InChIKey is RNUMASZEXBQWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-11-9-14(18-4)12(10-13(11)17-3)15(2)7-5-6-8-16/h9-10,16H,5-8H2,1-4H3.
What are the key properties of 4-(2,5-dimethoxy-N,4-dimethylanilino)butan-1-ol?
4-(2,5-dimethoxy-N,4-dimethylanilino)butan-1-ol has a molecular weight of 253.34 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethoxy-N,4-dimethylanilino)butan-1-ol is sourced from PubChem (CID 115217502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).