4-[[bis(2-methoxyethyl)amino]methyl]-3-(trifluoromethyl)aniline

C14H21F3N2O2 — CID 81118120

IUPAC4-[[bis(2-methoxyethyl)amino]methyl]-3-(trifluoromethyl)aniline
SMILESCOCCN(CCOC)Cc1ccc(N)cc1C(F)(F)F
InChIInChI=1S/C14H21F3N2O2/c1-20-7-5-19(6-8-21-2)10-11-3-4-12(18)9-13(11)14(15,16)17/h3-4,9H,5-8,10,18H2,1-2H3
InChIKeyDIZJLMBDKNHKLA-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.38
Rot. Bonds8

About 4-[[bis(2-methoxyethyl)amino]methyl]-3-(trifluoromethyl)aniline

4-[[bis(2-methoxyethyl)amino]methyl]-3-(trifluoromethyl)aniline (PubChem CID 81118120) has the molecular formula C14H21F3N2O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 4-[[bis(2-methoxyethyl)amino]methyl]-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-[[bis(2-methoxyethyl)amino]methyl]-3-(trifluoromethyl)aniline
PubChem CID81118120
Molecular FormulaC14H21F3N2O2
Molecular Weight306.33 g/mol
Exact Mass306.16
IUPAC Name4-[[bis(2-methoxyethyl)amino]methyl]-3-(trifluoromethyl)aniline
SMILESCOCCN(CCOC)Cc1ccc(N)cc1C(F)(F)F
InChIInChI=1S/C14H21F3N2O2/c1-20-7-5-19(6-8-21-2)10-11-3-4-12(18)9-13(11)14(15,16)17/h3-4,9H,5-8,10,18H2,1-2H3
InChIKeyDIZJLMBDKNHKLA-UHFFFAOYSA-N
XLogP2.38
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[methyl(propyl)amino]methyl]-3-(trifluoromethyl)aniline
CID 81117342
4-[[bis(cyclopropylmethyl)amino]methyl]-3-(trifluoromethyl)aniline
CID 81117529
4-[[ethyl(2-methylpropyl)amino]methyl]-3-(trifluoromethyl)aniline
CID 81117539
4-[[ethyl(2-methoxyethyl)amino]methyl]-3-methoxyaniline
CID 107208306
4-(fluoromethyl)-3-(trifluoromethyl)aniline
CID 91883575
4-[[2-(cyclopropylmethoxy)ethyl-methylamino]methyl]-3-(trifluoromethyl)aniline
CID 81117841
3-[[4-amino-2-(trifluoromethyl)phenyl]methyl-ethylamino]-2-methylpropanenitrile
CID 81116637
4-[[2-methylpropyl(propan-2-yl)amino]methyl]-3-(trifluoromethyl)aniline
CID 81117760
5-[[4-amino-2-(trifluoromethyl)phenyl]methyl-methylamino]pentan-1-ol
CID 107198188
CID 147886806
CID 147886806
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine
CID 43588490
tert-butyl N-[2-[[4-amino-2-(trifluoromethyl)phenyl]methyl-methylamino]ethyl]carbamate
CID 134576474

Frequently Asked Questions

What is the IUPAC name of 4-[[bis(2-methoxyethyl)amino]methyl]-3-(trifluoromethyl)aniline?
The IUPAC name of 4-[[bis(2-methoxyethyl)amino]methyl]-3-(trifluoromethyl)aniline (CID 81118120) is 4-[[bis(2-methoxyethyl)amino]methyl]-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-[[bis(2-methoxyethyl)amino]methyl]-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-[[bis(2-methoxyethyl)amino]methyl]-3-(trifluoromethyl)aniline is COCCN(CCOC)Cc1ccc(N)cc1C(F)(F)F.
What is the InChIKey of 4-[[bis(2-methoxyethyl)amino]methyl]-3-(trifluoromethyl)aniline?
The InChIKey is DIZJLMBDKNHKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O2/c1-20-7-5-19(6-8-21-2)10-11-3-4-12(18)9-13(11)14(15,16)17/h3-4,9H,5-8,10,18H2,1-2H3.
What are the key properties of 4-[[bis(2-methoxyethyl)amino]methyl]-3-(trifluoromethyl)aniline?
4-[[bis(2-methoxyethyl)amino]methyl]-3-(trifluoromethyl)aniline has a molecular weight of 306.33 g/mol, XLogP of 2.38, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[bis(2-methoxyethyl)amino]methyl]-3-(trifluoromethyl)aniline is sourced from PubChem (CID 81118120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).