N-[3-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3-(trifluoromethyl)aniline

C25H25F3N2 — CID 15295414

IUPACN-[3-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cccc(NCCCN2CC=C(c3cccc4ccccc34)CC2)c1
InChIInChI=1S/C25H25F3N2/c26-25(27,28)21-8-4-9-22(18-21)29-14-5-15-30-16-12-20(13-17-30)24-11-3-7-19-6-1-2-10-23(19)24/h1-4,6-12,18,29H,5,13-17H2
InChIKeyYSGOMFYOWNPWGM-UHFFFAOYSA-N
MW410.48 g/mol
LogP6.45
Rot. Bonds6

About N-[3-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3-(trifluoromethyl)aniline

N-[3-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3-(trifluoromethyl)aniline (PubChem CID 15295414) has the molecular formula C25H25F3N2 and a molecular weight of 410.48 g/mol. Its IUPAC name is N-[3-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[3-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3-(trifluoromethyl)aniline
PubChem CID15295414
Molecular FormulaC25H25F3N2
Molecular Weight410.48 g/mol
Exact Mass410.20
IUPAC NameN-[3-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cccc(NCCCN2CC=C(c3cccc4ccccc34)CC2)c1
InChIInChI=1S/C25H25F3N2/c26-25(27,28)21-8-4-9-22(18-21)29-14-5-15-30-16-12-20(13-17-30)24-11-3-7-19-6-1-2-10-23(19)24/h1-4,6-12,18,29H,5,13-17H2
InChIKeyYSGOMFYOWNPWGM-UHFFFAOYSA-N
XLogP6.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.48
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 1342
CID 1342
CID 2760172
CID 2760172
CID 761639
CID 761639
CID 606964
CID 606964
CID 761633
CID 761633
CID 4225968
CID 4225968
CID 236881
CID 236881
CID 44431763
CID 44431763
CID 3946411
CID 3946411
CID 3098264
CID 3098264
CID 15723897
CID 15723897
CID 15775221
CID 15775221

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3-(trifluoromethyl)aniline?
The IUPAC name of N-[3-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3-(trifluoromethyl)aniline (CID 15295414) is N-[3-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3-(trifluoromethyl)aniline.
What is the SMILES notation for N-[3-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3-(trifluoromethyl)aniline?
The canonical SMILES for N-[3-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3-(trifluoromethyl)aniline is FC(F)(F)c1cccc(NCCCN2CC=C(c3cccc4ccccc34)CC2)c1.
What is the InChIKey of N-[3-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3-(trifluoromethyl)aniline?
The InChIKey is YSGOMFYOWNPWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N2/c26-25(27,28)21-8-4-9-22(18-21)29-14-5-15-30-16-12-20(13-17-30)24-11-3-7-19-6-1-2-10-23(19)24/h1-4,6-12,18,29H,5,13-17H2.
What are the key properties of N-[3-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3-(trifluoromethyl)aniline?
N-[3-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3-(trifluoromethyl)aniline has a molecular weight of 410.48 g/mol, XLogP of 6.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3-(trifluoromethyl)aniline is sourced from PubChem (CID 15295414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).