N-[4-(2-methoxy-5-methylcyclohexa-1,5-dien-1-yl)-4-methyl-2-(trifluoromethyl)pentyl]-1-methylidene-2,3-dihydroinden-5-amine

C25H32F3NO — CID 142566622

IUPACN-[4-(2-methoxy-5-methylcyclohexa-1,5-dien-1-yl)-4-methyl-2-(trifluoromethyl)pentyl]-1-methylidene-2,3-dihydroinden-5-amine
SMILESC=C1CCc2cc(NCC(CC(C)(C)C3=C(OC)CCC(C)=C3)C(F)(F)F)ccc21
InChIInChI=1S/C25H32F3NO/c1-16-6-11-23(30-5)22(12-16)24(3,4)14-19(25(26,27)28)15-29-20-9-10-21-17(2)7-8-18(21)13-20/h9-10,12-13,19,29H,2,6-8,11,14-15H2,1,3-5H3
InChIKeyRAAPIGFYORUQGM-UHFFFAOYSA-N
MW419.53 g/mol
LogP7.29
Rot. Bonds7

About N-[4-(2-methoxy-5-methylcyclohexa-1,5-dien-1-yl)-4-methyl-2-(trifluoromethyl)pentyl]-1-methylidene-2,3-dihydroinden-5-amine

N-[4-(2-methoxy-5-methylcyclohexa-1,5-dien-1-yl)-4-methyl-2-(trifluoromethyl)pentyl]-1-methylidene-2,3-dihydroinden-5-amine (PubChem CID 142566622) has the molecular formula C25H32F3NO and a molecular weight of 419.53 g/mol. Its IUPAC name is N-[4-(2-methoxy-5-methylcyclohexa-1,5-dien-1-yl)-4-methyl-2-(trifluoromethyl)pentyl]-1-methylidene-2,3-dihydroinden-5-amine.

Molecular Properties

Compound NameN-[4-(2-methoxy-5-methylcyclohexa-1,5-dien-1-yl)-4-methyl-2-(trifluoromethyl)pentyl]-1-methylidene-2,3-dihydroinden-5-amine
PubChem CID142566622
Molecular FormulaC25H32F3NO
Molecular Weight419.53 g/mol
Exact Mass419.24
IUPAC NameN-[4-(2-methoxy-5-methylcyclohexa-1,5-dien-1-yl)-4-methyl-2-(trifluoromethyl)pentyl]-1-methylidene-2,3-dihydroinden-5-amine
SMILESC=C1CCc2cc(NCC(CC(C)(C)C3=C(OC)CCC(C)=C3)C(F)(F)F)ccc21
InChIInChI=1S/C25H32F3NO/c1-16-6-11-23(30-5)22(12-16)24(3,4)14-19(25(26,27)28)15-29-20-9-10-21-17(2)7-8-18(21)13-20/h9-10,12-13,19,29H,2,6-8,11,14-15H2,1,3-5H3
InChIKeyRAAPIGFYORUQGM-UHFFFAOYSA-N
XLogP7.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.53
LogP ≤ 57.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[4-(2-methoxy-5-methylcyclohexa-1,5-dien-1-yl)-4-methyl-2-(trifluoromethyl)pentyl]-1-methylidene-2,3-dihydroinden-5-amine with MolForge

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Related Compounds

N-(2-fluoroethyl)-4-[(E)-2-(4-methoxycyclohexa-1,3-dien-1-yl)ethenyl]aniline
CID 142216778
N-[4-(2-ethyl-5-fluorocyclohexa-1,5-dien-1-yl)-4-methyl-2-(trifluoromethyl)pentyl]-1-methylidene-2,3-dihydroinden-5-amine
CID 142566623
3-(2,3-dihydro-1H-inden-5-ylamino)-4,4,4-trifluorobutan-1-ol
CID 178658528
Indan-5-yl(2-methoxycyclohexyl)amine
CID 3126350
N-(3-methoxypentyl)-3-methyl-4-(trifluoromethyl)aniline
CID 23465418
N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-inden-5-amine
CID 28578045
N-[[2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-amine
CID 29269409
N-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3-dihydro-1H-inden-5-amine
CID 54961850
4-methyl-N-(oxan-4-ylmethyl)-3-(trifluoromethyl)aniline
CID 55209557
N-(2,2-difluoroethyl)-2,3-dihydro-1H-inden-5-amine
CID 60921757
N-[3-(2,2,2-trifluoroethoxy)propyl]-2,3-dihydro-1H-inden-5-amine
CID 61491226
N-(4-methoxy-4-methylpentan-2-yl)-4-methyl-3-(trifluoromethyl)aniline
CID 61777013

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxy-5-methylcyclohexa-1,5-dien-1-yl)-4-methyl-2-(trifluoromethyl)pentyl]-1-methylidene-2,3-dihydroinden-5-amine?
The IUPAC name of N-[4-(2-methoxy-5-methylcyclohexa-1,5-dien-1-yl)-4-methyl-2-(trifluoromethyl)pentyl]-1-methylidene-2,3-dihydroinden-5-amine (CID 142566622) is N-[4-(2-methoxy-5-methylcyclohexa-1,5-dien-1-yl)-4-methyl-2-(trifluoromethyl)pentyl]-1-methylidene-2,3-dihydroinden-5-amine.
What is the SMILES notation for N-[4-(2-methoxy-5-methylcyclohexa-1,5-dien-1-yl)-4-methyl-2-(trifluoromethyl)pentyl]-1-methylidene-2,3-dihydroinden-5-amine?
The canonical SMILES for N-[4-(2-methoxy-5-methylcyclohexa-1,5-dien-1-yl)-4-methyl-2-(trifluoromethyl)pentyl]-1-methylidene-2,3-dihydroinden-5-amine is C=C1CCc2cc(NCC(CC(C)(C)C3=C(OC)CCC(C)=C3)C(F)(F)F)ccc21.
What is the InChIKey of N-[4-(2-methoxy-5-methylcyclohexa-1,5-dien-1-yl)-4-methyl-2-(trifluoromethyl)pentyl]-1-methylidene-2,3-dihydroinden-5-amine?
The InChIKey is RAAPIGFYORUQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32F3NO/c1-16-6-11-23(30-5)22(12-16)24(3,4)14-19(25(26,27)28)15-29-20-9-10-21-17(2)7-8-18(21)13-20/h9-10,12-13,19,29H,2,6-8,11,14-15H2,1,3-5H3.
What are the key properties of N-[4-(2-methoxy-5-methylcyclohexa-1,5-dien-1-yl)-4-methyl-2-(trifluoromethyl)pentyl]-1-methylidene-2,3-dihydroinden-5-amine?
N-[4-(2-methoxy-5-methylcyclohexa-1,5-dien-1-yl)-4-methyl-2-(trifluoromethyl)pentyl]-1-methylidene-2,3-dihydroinden-5-amine has a molecular weight of 419.53 g/mol, XLogP of 7.29, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxy-5-methylcyclohexa-1,5-dien-1-yl)-4-methyl-2-(trifluoromethyl)pentyl]-1-methylidene-2,3-dihydroinden-5-amine is sourced from PubChem (CID 142566622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).