N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-5-(trifluoromethyl)pyridin-2-amine

C16H17F4N3 — CID 133411320

IUPACN-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCN(C)Cc1ccc(CNc2ccc(C(F)(F)F)cn2)cc1F
InChIInChI=1S/C16H17F4N3/c1-23(2)10-12-4-3-11(7-14(12)17)8-21-15-6-5-13(9-22-15)16(18,19)20/h3-7,9H,8,10H2,1-2H3,(H,21,22)
InChIKeyMNNPOASVYNAXSP-UHFFFAOYSA-N
MW327.33 g/mol
LogP3.91
Rot. Bonds5

About N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-5-(trifluoromethyl)pyridin-2-amine

N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 133411320) has the molecular formula C16H17F4N3 and a molecular weight of 327.33 g/mol. Its IUPAC name is N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID133411320
Molecular FormulaC16H17F4N3
Molecular Weight327.33 g/mol
Exact Mass327.14
IUPAC NameN-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCN(C)Cc1ccc(CNc2ccc(C(F)(F)F)cn2)cc1F
InChIInChI=1S/C16H17F4N3/c1-23(2)10-12-4-3-11(7-14(12)17)8-21-15-6-5-13(9-22-15)16(18,19)20/h3-7,9H,8,10H2,1-2H3,(H,21,22)
InChIKeyMNNPOASVYNAXSP-UHFFFAOYSA-N
XLogP3.91
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methylphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 29047903
N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-4,6-dimethylpyrimidin-2-amine
CID 133411326
N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-6-ethyl-2-pyridin-4-ylpyrimidin-4-amine
CID 133411435
5-chloro-N-[(3,4-difluorophenyl)methyl]pyridin-2-amine
CID 54966254
N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-5-methylquinazolin-4-amine
CID 133411366
N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-7-methyl-1,8-naphthyridin-4-amine
CID 166230144
5-methylsulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine
CID 511956
N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-4-(4-fluorophenoxy)pyrimidin-2-amine
CID 133411339
N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-2-methylquinolin-4-amine
CID 133411285
2-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methylamino]-5-fluorobenzonitrile
CID 133411353
N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133411376
N-[(4-aminophenyl)methyl]-5-tert-butylpyridin-2-amine
CID 107875191

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-5-(trifluoromethyl)pyridin-2-amine (CID 133411320) is N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-5-(trifluoromethyl)pyridin-2-amine is CN(C)Cc1ccc(CNc2ccc(C(F)(F)F)cn2)cc1F.
What is the InChIKey of N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is MNNPOASVYNAXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F4N3/c1-23(2)10-12-4-3-11(7-14(12)17)8-21-15-6-5-13(9-22-15)16(18,19)20/h3-7,9H,8,10H2,1-2H3,(H,21,22).
What are the key properties of N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-5-(trifluoromethyl)pyridin-2-amine?
N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 327.33 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 133411320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).