2-[(2,4-dimethoxy-6-methylanilino)methyl]butan-1-ol

C14H23NO3 — CID 115250575

IUPAC2-[(2,4-dimethoxy-6-methylanilino)methyl]butan-1-ol
SMILESCCC(CO)CNc1c(C)cc(OC)cc1OC
InChIInChI=1S/C14H23NO3/c1-5-11(9-16)8-15-14-10(2)6-12(17-3)7-13(14)18-4/h6-7,11,15-16H,5,8-9H2,1-4H3
InChIKeyIMCREKMBSDWSJV-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.44
Rot. Bonds7

About 2-[(2,4-dimethoxy-6-methylanilino)methyl]butan-1-ol

2-[(2,4-dimethoxy-6-methylanilino)methyl]butan-1-ol (PubChem CID 115250575) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-[(2,4-dimethoxy-6-methylanilino)methyl]butan-1-ol.

Molecular Properties

Compound Name2-[(2,4-dimethoxy-6-methylanilino)methyl]butan-1-ol
PubChem CID115250575
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name2-[(2,4-dimethoxy-6-methylanilino)methyl]butan-1-ol
SMILESCCC(CO)CNc1c(C)cc(OC)cc1OC
InChIInChI=1S/C14H23NO3/c1-5-11(9-16)8-15-14-10(2)6-12(17-3)7-13(14)18-4/h6-7,11,15-16H,5,8-9H2,1-4H3
InChIKeyIMCREKMBSDWSJV-UHFFFAOYSA-N
XLogP2.44
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-(2,4-dimethoxy-6-methylanilino)propan-1-ol
CID 115120337
1-N-(2,4-dimethoxy-6-methylphenyl)-3-methylbutane-1,3-diamine
CID 115200420
N-ethyl-4-methoxy-2,6-dimethylaniline
CID 23348858
2-[(4-methoxy-3-propan-2-ylanilino)methyl]butan-1-ol
CID 115250495
N-(2-ethylbutyl)-4,5-dimethoxy-2-methylaniline
CID 43716743
2-[(5-bromo-2-methoxy-3,4,6-trimethylanilino)methyl]butan-1-ol
CID 115250590
N-[[1-(aminomethyl)cyclopropyl]methyl]-2,4-dimethoxy-6-methylaniline
CID 115243916
2-(2,4-dimethoxy-6-methylanilino)-2-oxoacetic acid
CID 115141187
2-[[(3,4-dimethylphenyl)methylamino]methyl]butan-1-ol
CID 115250742
2-[(2,5-dimethoxyphenyl)methyl]butan-1-ol
CID 116930738
1-[(2,4-dimethoxy-6-methylanilino)methyl]cyclobutane-1-carbonitrile
CID 115245077
2-amino-3-(2,4-dimethoxy-6-methylanilino)-3-oxopropanoic acid
CID 115179144

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethoxy-6-methylanilino)methyl]butan-1-ol?
The IUPAC name of 2-[(2,4-dimethoxy-6-methylanilino)methyl]butan-1-ol (CID 115250575) is 2-[(2,4-dimethoxy-6-methylanilino)methyl]butan-1-ol.
What is the SMILES notation for 2-[(2,4-dimethoxy-6-methylanilino)methyl]butan-1-ol?
The canonical SMILES for 2-[(2,4-dimethoxy-6-methylanilino)methyl]butan-1-ol is CCC(CO)CNc1c(C)cc(OC)cc1OC.
What is the InChIKey of 2-[(2,4-dimethoxy-6-methylanilino)methyl]butan-1-ol?
The InChIKey is IMCREKMBSDWSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-5-11(9-16)8-15-14-10(2)6-12(17-3)7-13(14)18-4/h6-7,11,15-16H,5,8-9H2,1-4H3.
What are the key properties of 2-[(2,4-dimethoxy-6-methylanilino)methyl]butan-1-ol?
2-[(2,4-dimethoxy-6-methylanilino)methyl]butan-1-ol has a molecular weight of 253.34 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethoxy-6-methylanilino)methyl]butan-1-ol is sourced from PubChem (CID 115250575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).