4-[(3-methoxybutan-2-ylamino)methyl]-N,N-dimethylaniline

C14H24N2O — CID 113259919

IUPAC4-[(3-methoxybutan-2-ylamino)methyl]-N,N-dimethylaniline
SMILESCOC(C)C(C)NCc1ccc(N(C)C)cc1
InChIInChI=1S/C14H24N2O/c1-11(12(2)17-5)15-10-13-6-8-14(9-7-13)16(3)4/h6-9,11-12,15H,10H2,1-5H3
InChIKeyAJJSDMKNBJIRDT-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.27
Rot. Bonds6

About 4-[(3-methoxybutan-2-ylamino)methyl]-N,N-dimethylaniline

4-[(3-methoxybutan-2-ylamino)methyl]-N,N-dimethylaniline (PubChem CID 113259919) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 4-[(3-methoxybutan-2-ylamino)methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(3-methoxybutan-2-ylamino)methyl]-N,N-dimethylaniline
PubChem CID113259919
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name4-[(3-methoxybutan-2-ylamino)methyl]-N,N-dimethylaniline
SMILESCOC(C)C(C)NCc1ccc(N(C)C)cc1
InChIInChI=1S/C14H24N2O/c1-11(12(2)17-5)15-10-13-6-8-14(9-7-13)16(3)4/h6-9,11-12,15H,10H2,1-5H3
InChIKeyAJJSDMKNBJIRDT-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-[(3-methoxybutan-2-ylamino)methyl]benzonitrile
CID 115709857
4-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]-N,N-dimethylaniline
CID 103271170
(2S)-2-[[4-(dimethylamino)phenyl]methylamino]propan-1-ol
CID 93083040
2-[[4-(dimethylamino)phenyl]methylamino]propan-1-ol
CID 43499772
2-N-[[4-(dimethylamino)phenyl]methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 61476450
4-[[[(1S)-1-(2-methoxyphenyl)ethyl]amino]methyl]-N,N-dimethylaniline
CID 28624330
N,N-dimethyl-4-[[[(1S)-1-phenylethyl]amino]methyl]aniline
CID 961203
N,N-dimethyl-4-[(2-methylpropoxyamino)methyl]aniline
CID 82710734
4-[[1-(4-fluorophenyl)propan-2-ylamino]methyl]-N,N-dimethylaniline
CID 60956705
4-[2-[[4-(dimethylamino)phenyl]methylamino]propyl]phenol
CID 78942237
N-[(3-fluorophenyl)methyl]-3-methoxybutan-2-amine
CID 115708475
4-[(1-cyclohexylethylamino)methyl]-N,N-dimethylaniline
CID 43769966

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxybutan-2-ylamino)methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(3-methoxybutan-2-ylamino)methyl]-N,N-dimethylaniline (CID 113259919) is 4-[(3-methoxybutan-2-ylamino)methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(3-methoxybutan-2-ylamino)methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(3-methoxybutan-2-ylamino)methyl]-N,N-dimethylaniline is COC(C)C(C)NCc1ccc(N(C)C)cc1.
What is the InChIKey of 4-[(3-methoxybutan-2-ylamino)methyl]-N,N-dimethylaniline?
The InChIKey is AJJSDMKNBJIRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-11(12(2)17-5)15-10-13-6-8-14(9-7-13)16(3)4/h6-9,11-12,15H,10H2,1-5H3.
What are the key properties of 4-[(3-methoxybutan-2-ylamino)methyl]-N,N-dimethylaniline?
4-[(3-methoxybutan-2-ylamino)methyl]-N,N-dimethylaniline has a molecular weight of 236.36 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxybutan-2-ylamino)methyl]-N,N-dimethylaniline is sourced from PubChem (CID 113259919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).