3-(difluoromethyl)-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)aniline

C13H16F2N2 — CID 156516025

IUPAC3-(difluoromethyl)-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)aniline
SMILESCN1CC=C(c2ccc(N)cc2C(F)F)CC1
InChIInChI=1S/C13H16F2N2/c1-17-6-4-9(5-7-17)11-3-2-10(16)8-12(11)13(14)15/h2-4,8,13H,5-7,16H2,1H3
InChIKeyZMAHHZXXTYIXMH-UHFFFAOYSA-N
MW238.28 g/mol
LogP2.93
Rot. Bonds2

About 3-(difluoromethyl)-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)aniline

3-(difluoromethyl)-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)aniline (PubChem CID 156516025) has the molecular formula C13H16F2N2 and a molecular weight of 238.28 g/mol. Its IUPAC name is 3-(difluoromethyl)-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)aniline.

Molecular Properties

Compound Name3-(difluoromethyl)-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)aniline
PubChem CID156516025
Molecular FormulaC13H16F2N2
Molecular Weight238.28 g/mol
Exact Mass238.13
IUPAC Name3-(difluoromethyl)-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)aniline
SMILESCN1CC=C(c2ccc(N)cc2C(F)F)CC1
InChIInChI=1S/C13H16F2N2/c1-17-6-4-9(5-7-17)11-3-2-10(16)8-12(11)13(14)15/h2-4,8,13H,5-7,16H2,1H3
InChIKeyZMAHHZXXTYIXMH-UHFFFAOYSA-N
XLogP2.93
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)aniline
CID 171834729
3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)aniline
CID 23273824
4-(4-bromo-2-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine
CID 155415165
6-amino-1,3-dimethyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)benzimidazol-2-one
CID 177184921
N-[3-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]formamide
CID 165118334
2-(difluoromethyl)-1-N-(1-methylpiperidin-4-yl)benzene-1,4-diamine
CID 63733911
7-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 155723183
ethyl 8-[7-(difluoromethyl)-6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,7-naphthyridine-6-carboxylate
CID 156895131
2-[4-(4-amino-2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]acetonitrile
CID 143096041
3-(difluoromethyl)-4-(3,3,4-trimethylpiperazin-1-yl)aniline
CID 63736545
3-(difluoromethyl)-4-(4-methylazepan-1-yl)aniline
CID 63733954
5-[6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]pyrazin-2-amine
CID 139409374

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)aniline?
The IUPAC name of 3-(difluoromethyl)-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)aniline (CID 156516025) is 3-(difluoromethyl)-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)aniline.
What is the SMILES notation for 3-(difluoromethyl)-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)aniline?
The canonical SMILES for 3-(difluoromethyl)-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)aniline is CN1CC=C(c2ccc(N)cc2C(F)F)CC1.
What is the InChIKey of 3-(difluoromethyl)-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)aniline?
The InChIKey is ZMAHHZXXTYIXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2/c1-17-6-4-9(5-7-17)11-3-2-10(16)8-12(11)13(14)15/h2-4,8,13H,5-7,16H2,1H3.
What are the key properties of 3-(difluoromethyl)-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)aniline?
3-(difluoromethyl)-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)aniline has a molecular weight of 238.28 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)aniline is sourced from PubChem (CID 156516025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).