4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-(trifluoromethyl)aniline

C14H20F3N3 — CID 62885220

IUPAC4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-(trifluoromethyl)aniline
SMILESCN(C)CC1CCCN1c1ccc(N)cc1C(F)(F)F
InChIInChI=1S/C14H20F3N3/c1-19(2)9-11-4-3-7-20(11)13-6-5-10(18)8-12(13)14(15,16)17/h5-6,8,11H,3-4,7,9,18H2,1-2H3
InChIKeyHBBVOGXRZRLOLM-UHFFFAOYSA-N
MW287.33 g/mol
LogP2.82
Rot. Bonds3

About 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-(trifluoromethyl)aniline

4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-(trifluoromethyl)aniline (PubChem CID 62885220) has the molecular formula C14H20F3N3 and a molecular weight of 287.33 g/mol. Its IUPAC name is 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-(trifluoromethyl)aniline
PubChem CID62885220
Molecular FormulaC14H20F3N3
Molecular Weight287.33 g/mol
Exact Mass287.16
IUPAC Name4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-(trifluoromethyl)aniline
SMILESCN(C)CC1CCCN1c1ccc(N)cc1C(F)(F)F
InChIInChI=1S/C14H20F3N3/c1-19(2)9-11-4-3-7-20(11)13-6-5-10(18)8-12(13)14(15,16)17/h5-6,8,11H,3-4,7,9,18H2,1-2H3
InChIKeyHBBVOGXRZRLOLM-UHFFFAOYSA-N
XLogP2.82
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]benzoic acid
CID 62889596
5-amino-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]benzonitrile
CID 62885047
1-[1-[4-(aminomethyl)-2-fluorophenyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 62885527
4-amino-3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]benzoic acid
CID 82796247
4-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-3-(trifluoromethyl)aniline
CID 81117739
methyl 3-amino-4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]benzoate
CID 62889597
[1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanamine
CID 62592985
[4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-fluorophenyl]methanol
CID 62887739
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-5-(trifluoromethoxy)benzoic acid
CID 118695187
N-[[4-amino-2-(trifluoromethyl)phenyl]methyl]-N,1-dimethylpiperidin-3-amine
CID 81117134
4-(4-ethylpiperidin-1-yl)-3-(trifluoromethyl)aniline
CID 61421048
4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-fluorobenzenecarboximidamide
CID 62887717

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-(trifluoromethyl)aniline?
The IUPAC name of 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-(trifluoromethyl)aniline (CID 62885220) is 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-(trifluoromethyl)aniline is CN(C)CC1CCCN1c1ccc(N)cc1C(F)(F)F.
What is the InChIKey of 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-(trifluoromethyl)aniline?
The InChIKey is HBBVOGXRZRLOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3/c1-19(2)9-11-4-3-7-20(11)13-6-5-10(18)8-12(13)14(15,16)17/h5-6,8,11H,3-4,7,9,18H2,1-2H3.
What are the key properties of 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-(trifluoromethyl)aniline?
4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-(trifluoromethyl)aniline has a molecular weight of 287.33 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-(trifluoromethyl)aniline is sourced from PubChem (CID 62885220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).