2-(3-aminopropyl)-N,N-dimethyl-4-(trifluoromethyl)aniline

C12H17F3N2 — CID 115113362

IUPAC2-(3-aminopropyl)-N,N-dimethyl-4-(trifluoromethyl)aniline
SMILESCN(C)c1ccc(C(F)(F)F)cc1CCCN
InChIInChI=1S/C12H17F3N2/c1-17(2)11-6-5-10(12(13,14)15)8-9(11)4-3-7-16/h5-6,8H,3-4,7,16H2,1-2H3
InChIKeyXUXULWZMZBIQHR-UHFFFAOYSA-N
MW246.28 g/mol
LogP2.66
Rot. Bonds4

About 2-(3-aminopropyl)-N,N-dimethyl-4-(trifluoromethyl)aniline

2-(3-aminopropyl)-N,N-dimethyl-4-(trifluoromethyl)aniline (PubChem CID 115113362) has the molecular formula C12H17F3N2 and a molecular weight of 246.28 g/mol. Its IUPAC name is 2-(3-aminopropyl)-N,N-dimethyl-4-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-(3-aminopropyl)-N,N-dimethyl-4-(trifluoromethyl)aniline
PubChem CID115113362
Molecular FormulaC12H17F3N2
Molecular Weight246.28 g/mol
Exact Mass246.13
IUPAC Name2-(3-aminopropyl)-N,N-dimethyl-4-(trifluoromethyl)aniline
SMILESCN(C)c1ccc(C(F)(F)F)cc1CCCN
InChIInChI=1S/C12H17F3N2/c1-17(2)11-6-5-10(12(13,14)15)8-9(11)4-3-7-16/h5-6,8H,3-4,7,16H2,1-2H3
InChIKeyXUXULWZMZBIQHR-UHFFFAOYSA-N
XLogP2.66
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-fluoro-5-(trifluoromethyl)phenyl]propan-1-amine
CID 53434374
2-(3-aminopropyl)-4-(trifluoromethyl)phenol
CID 82262792
3-[2-chloro-5-(trifluoromethyl)phenyl]propan-1-amine
CID 66832871
2-(3-aminopropyl)-4-ethyl-N,N-dimethylaniline
CID 115113347
2-[(E)-3-aminoprop-1-enyl]-N,N-dimethyl-4-(trifluoromethyl)aniline
CID 115111123
3-[1-ethyl-5-(trifluoromethyl)indol-3-yl]propan-1-amine
CID 117120954
2-(aminomethyl)-N-methyl-N-pentan-3-yl-4-(trifluoromethyl)aniline
CID 43570550
[2-(dimethylamino)-5-(trifluoromethyl)phenyl]boronic acid
CID 91758868
3-[3-bromo-2-methoxy-5-(trifluoromethyl)phenyl]propan-1-amine
CID 117496679
3-[3-chloro-2-methoxy-5-(trifluoromethyl)phenyl]propan-1-amine
CID 117422606
2-N-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103187678
N-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-N-methyloxan-4-amine
CID 43610591

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropyl)-N,N-dimethyl-4-(trifluoromethyl)aniline?
The IUPAC name of 2-(3-aminopropyl)-N,N-dimethyl-4-(trifluoromethyl)aniline (CID 115113362) is 2-(3-aminopropyl)-N,N-dimethyl-4-(trifluoromethyl)aniline.
What is the SMILES notation for 2-(3-aminopropyl)-N,N-dimethyl-4-(trifluoromethyl)aniline?
The canonical SMILES for 2-(3-aminopropyl)-N,N-dimethyl-4-(trifluoromethyl)aniline is CN(C)c1ccc(C(F)(F)F)cc1CCCN.
What is the InChIKey of 2-(3-aminopropyl)-N,N-dimethyl-4-(trifluoromethyl)aniline?
The InChIKey is XUXULWZMZBIQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2/c1-17(2)11-6-5-10(12(13,14)15)8-9(11)4-3-7-16/h5-6,8H,3-4,7,16H2,1-2H3.
What are the key properties of 2-(3-aminopropyl)-N,N-dimethyl-4-(trifluoromethyl)aniline?
2-(3-aminopropyl)-N,N-dimethyl-4-(trifluoromethyl)aniline has a molecular weight of 246.28 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropyl)-N,N-dimethyl-4-(trifluoromethyl)aniline is sourced from PubChem (CID 115113362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).