3-(4-amino-3,3-dimethylbutoxy)-N,N-dimethylaniline

C14H24N2O — CID 65248872

IUPAC3-(4-amino-3,3-dimethylbutoxy)-N,N-dimethylaniline
SMILESCN(C)c1cccc(OCCC(C)(C)CN)c1
InChIInChI=1S/C14H24N2O/c1-14(2,11-15)8-9-17-13-7-5-6-12(10-13)16(3)4/h5-7,10H,8-9,11,15H2,1-4H3
InChIKeySSOJFIWRGKJBPU-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.51
Rot. Bonds6

About 3-(4-amino-3,3-dimethylbutoxy)-N,N-dimethylaniline

3-(4-amino-3,3-dimethylbutoxy)-N,N-dimethylaniline (PubChem CID 65248872) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 3-(4-amino-3,3-dimethylbutoxy)-N,N-dimethylaniline.

Molecular Properties

Compound Name3-(4-amino-3,3-dimethylbutoxy)-N,N-dimethylaniline
PubChem CID65248872
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name3-(4-amino-3,3-dimethylbutoxy)-N,N-dimethylaniline
SMILESCN(C)c1cccc(OCCC(C)(C)CN)c1
InChIInChI=1S/C14H24N2O/c1-14(2,11-15)8-9-17-13-7-5-6-12(10-13)16(3)4/h5-7,10H,8-9,11,15H2,1-4H3
InChIKeySSOJFIWRGKJBPU-UHFFFAOYSA-N
XLogP2.51
TPSA38.49 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 ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-[2-(2-aminoethoxy)ethoxy]propoxy]-N,N-dimethylaniline
CID 82353541
3-[2-(4-iodophenoxy)ethoxy]-N,N-dimethylaniline
CID 141496983
3-[2-(diethylamino)ethoxy]-N,N-dimethylaniline
CID 58006190
4-[2-[3-(dimethylamino)phenoxy]ethoxy]benzoic acid
CID 20985248
azanium [5-[3-(dimethylamino)phenoxy]-2-methylpentan-2-yl] sulfate
CID 141056778
2,2-dimethyl-5-[3-(trifluoromethyl)phenoxy]pentan-1-amine
CID 65256118
2-amino-4-[3-(dimethylamino)phenoxy]butan-1-ol
CID 64809356
CID 71254525
CID 71254525
N'-(3-methoxyphenyl)-N',2,2-trimethylhexane-1,6-diamine
CID 106708049
3-[[2-(aminomethyl)phenyl]methoxy]-N,N-dimethylaniline
CID 22688623
N,N-dimethyl-3-(2-phenylsulfanylethoxy)aniline
CID 79403547
4-(3-chlorophenoxy)-2-N,2-N,2-trimethylbutane-1,2-diamine
CID 112501140

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-3,3-dimethylbutoxy)-N,N-dimethylaniline?
The IUPAC name of 3-(4-amino-3,3-dimethylbutoxy)-N,N-dimethylaniline (CID 65248872) is 3-(4-amino-3,3-dimethylbutoxy)-N,N-dimethylaniline.
What is the SMILES notation for 3-(4-amino-3,3-dimethylbutoxy)-N,N-dimethylaniline?
The canonical SMILES for 3-(4-amino-3,3-dimethylbutoxy)-N,N-dimethylaniline is CN(C)c1cccc(OCCC(C)(C)CN)c1.
What is the InChIKey of 3-(4-amino-3,3-dimethylbutoxy)-N,N-dimethylaniline?
The InChIKey is SSOJFIWRGKJBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-14(2,11-15)8-9-17-13-7-5-6-12(10-13)16(3)4/h5-7,10H,8-9,11,15H2,1-4H3.
What are the key properties of 3-(4-amino-3,3-dimethylbutoxy)-N,N-dimethylaniline?
3-(4-amino-3,3-dimethylbutoxy)-N,N-dimethylaniline has a molecular weight of 236.36 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-3,3-dimethylbutoxy)-N,N-dimethylaniline is sourced from PubChem (CID 65248872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).